[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethyl]phenyl]methanamine

C22H29NO — CID 14850581

IUPAC[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethyl]phenyl]methanamine
SMILESCC1(C)CCC(C)(C)c2cc(OCc3ccc(CN)cc3)ccc21
InChIInChI=1S/C22H29NO/c1-21(2)11-12-22(3,4)20-13-18(9-10-19(20)21)24-15-17-7-5-16(14-23)6-8-17/h5-10,13H,11-12,14-15,23H2,1-4H3
InChIKeyJQBJPFWAVXTUOL-UHFFFAOYSA-N
MW323.48 g/mol
LogP5.07
Rot. Bonds4

About [4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethyl]phenyl]methanamine

[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethyl]phenyl]methanamine (PubChem CID 14850581) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is [4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethyl]phenyl]methanamine
PubChem CID14850581
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethyl]phenyl]methanamine
SMILESCC1(C)CCC(C)(C)c2cc(OCc3ccc(CN)cc3)ccc21
InChIInChI=1S/C22H29NO/c1-21(2)11-12-22(3,4)20-13-18(9-10-19(20)21)24-15-17-7-5-16(14-23)6-8-17/h5-10,13H,11-12,14-15,23H2,1-4H3
InChIKeyJQBJPFWAVXTUOL-UHFFFAOYSA-N
XLogP5.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 141000856
[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16787344
5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 76771717
benzyl 2-hydroxy-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethoxy]benzoate
CID 67808421
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 2800891
2-[3-methyl-2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]oxiran-2-yl]acetic acid
CID 141372793
3'-methyl-6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 90963447
benzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate
CID 18792286
[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
[3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine
CID 16784243

Frequently Asked Questions

What is the IUPAC name of [4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethyl]phenyl]methanamine?
The IUPAC name of [4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethyl]phenyl]methanamine (CID 14850581) is [4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethyl]phenyl]methanamine.
What is the SMILES notation for [4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethyl]phenyl]methanamine?
The canonical SMILES for [4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethyl]phenyl]methanamine is CC1(C)CCC(C)(C)c2cc(OCc3ccc(CN)cc3)ccc21.
What is the InChIKey of [4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethyl]phenyl]methanamine?
The InChIKey is JQBJPFWAVXTUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-21(2)11-12-22(3,4)20-13-18(9-10-19(20)21)24-15-17-7-5-16(14-23)6-8-17/h5-10,13H,11-12,14-15,23H2,1-4H3.
What are the key properties of [4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethyl]phenyl]methanamine?
[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethyl]phenyl]methanamine has a molecular weight of 323.48 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethyl]phenyl]methanamine is sourced from PubChem (CID 14850581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).