N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine

C25H31NO2 — CID 54848695

IUPACN-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCCC(C)Oc1ccc2ccccc2c1CNCc1ccc(OC(C)C)cc1
InChIInChI=1S/C25H31NO2/c1-5-19(4)28-25-15-12-21-8-6-7-9-23(21)24(25)17-26-16-20-10-13-22(14-11-20)27-18(2)3/h6-15,18-19,26H,5,16-17H2,1-4H3
InChIKeyAZOQMZXHUIMIIK-UHFFFAOYSA-N
MW377.53 g/mol
LogP6.09
Rot. Bonds9

About N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine

N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 54848695) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
PubChem CID54848695
Molecular FormulaC25H31NO2
Molecular Weight377.53 g/mol
Exact Mass377.24
IUPAC NameN-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCCC(C)Oc1ccc2ccccc2c1CNCc1ccc(OC(C)C)cc1
InChIInChI=1S/C25H31NO2/c1-5-19(4)28-25-15-12-21-8-6-7-9-23(21)24(25)17-26-16-20-10-13-22(14-11-20)27-18(2)3/h6-15,18-19,26H,5,16-17H2,1-4H3
InChIKeyAZOQMZXHUIMIIK-UHFFFAOYSA-N
XLogP6.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]ethanamine
CID 43505535
N-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848912
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine
CID 54849945
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-3-phenylpropan-1-amine
CID 54804530
N-benzyl-2-[1-[(dimethylamino)methyl]naphthalen-2-yl]oxypropan-1-amine
CID 57146753
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070
(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol
CID 51996892
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
CID 62693267
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724097
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
CID 115581451
N,N'-bis[(2-propan-2-yloxynaphthalen-1-yl)methyl]hexane-1,6-diamine;methanesulfonic acid
CID 44531928
N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54803978

Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine (CID 54848695) is N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine is CCC(C)Oc1ccc2ccccc2c1CNCc1ccc(OC(C)C)cc1.
What is the InChIKey of N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is AZOQMZXHUIMIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO2/c1-5-19(4)28-25-15-12-21-8-6-7-9-23(21)24(25)17-26-16-20-10-13-22(14-11-20)27-18(2)3/h6-15,18-19,26H,5,16-17H2,1-4H3.
What are the key properties of N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 377.53 g/mol, XLogP of 6.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 54848695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).