[4-[[2-[[1-[[4-(aminomethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanamine

C44H56N2O — CID 67916548

IUPAC[4-[[2-[[1-[[4-(aminomethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanamine
SMILESCC1(C)CCC(C)(C)c2c1ccc(Oc1ccc3c(c1Cc1ccc(CN)cc1)C(C)(C)CCC3(C)C)c2Cc1ccc(CN)cc1
InChIInChI=1S/C44H56N2O/c1-41(2)21-23-43(5,6)39-33(25-29-9-13-31(27-45)14-10-29)37(19-17-35(39)41)47-38-20-18-36-40(44(7,8)24-22-42(36,3)4)34(38)26-30-11-15-32(28-46)16-12-30/h9-20H,21-28,45-46H2,1-8H3
InChIKeySVJFWMZOJYCTGY-UHFFFAOYSA-N
MW628.95 g/mol
LogP10.28
Rot. Bonds8

About [4-[[2-[[1-[[4-(aminomethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanamine

[4-[[2-[[1-[[4-(aminomethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanamine (PubChem CID 67916548) has the molecular formula C44H56N2O and a molecular weight of 628.95 g/mol. Its IUPAC name is [4-[[2-[[1-[[4-(aminomethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[2-[[1-[[4-(aminomethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanamine
PubChem CID67916548
Molecular FormulaC44H56N2O
Molecular Weight628.95 g/mol
Exact Mass628.44
IUPAC Name[4-[[2-[[1-[[4-(aminomethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanamine
SMILESCC1(C)CCC(C)(C)c2c1ccc(Oc1ccc3c(c1Cc1ccc(CN)cc1)C(C)(C)CCC3(C)C)c2Cc1ccc(CN)cc1
InChIInChI=1S/C44H56N2O/c1-41(2)21-23-43(5,6)39-33(25-29-9-13-31(27-45)14-10-29)37(19-17-35(39)41)47-38-20-18-36-40(44(7,8)24-22-42(36,3)4)34(38)26-30-11-15-32(28-46)16-12-30/h9-20H,21-28,45-46H2,1-8H3
InChIKeySVJFWMZOJYCTGY-UHFFFAOYSA-N
XLogP10.28
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.95
LogP ≤ 510.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[2-[[1-[[4-(aminomethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanamine with MolForge

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Related Compounds

[4-[[2-[[1-[[4-(hydroxymethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanol
CID 67916537
[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethyl]phenyl]methanamine
CID 14850581
(5-methoxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methanamine
CID 70594699
(1-carbamoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl) 3-phenylpropanoate
CID 54547849
6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 2800891
1-[4-(methoxymethyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid
CID 67876279
1,1,4,4-tetramethyl-6-(2-methylpropyl)-2,3-dihydronaphthalene
CID 59409873
[4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
CID 84722437
1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine
CID 115018324
1-[4-(aminomethyl)phenyl]cyclopropan-1-amine
CID 55270414
[3-chloro-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanamine
CID 63087179
5-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-7-prop-2-ynyl-2,3-dihydronaphthalene
CID 87992522

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[[1-[[4-(aminomethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [4-[[2-[[1-[[4-(aminomethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanamine (CID 67916548) is [4-[[2-[[1-[[4-(aminomethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[2-[[1-[[4-(aminomethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[2-[[1-[[4-(aminomethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanamine is CC1(C)CCC(C)(C)c2c1ccc(Oc1ccc3c(c1Cc1ccc(CN)cc1)C(C)(C)CCC3(C)C)c2Cc1ccc(CN)cc1.
What is the InChIKey of [4-[[2-[[1-[[4-(aminomethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanamine?
The InChIKey is SVJFWMZOJYCTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H56N2O/c1-41(2)21-23-43(5,6)39-33(25-29-9-13-31(27-45)14-10-29)37(19-17-35(39)41)47-38-20-18-36-40(44(7,8)24-22-42(36,3)4)34(38)26-30-11-15-32(28-46)16-12-30/h9-20H,21-28,45-46H2,1-8H3.
What are the key properties of [4-[[2-[[1-[[4-(aminomethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanamine?
[4-[[2-[[1-[[4-(aminomethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanamine has a molecular weight of 628.95 g/mol, XLogP of 10.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[[1-[[4-(aminomethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 67916548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).