N-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine

C21H23NO — CID 70057339

IUPACN-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine
SMILESCCCC(Nc1cccc2ccccc12)c1cccc(OC)c1
InChIInChI=1S/C21H23NO/c1-3-8-20(17-11-6-12-18(15-17)23-2)22-21-14-7-10-16-9-4-5-13-19(16)21/h4-7,9-15,20,22H,3,8H2,1-2H3
InChIKeyTWVHALBOUULBEK-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.80
Rot. Bonds6

About N-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine

N-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine (PubChem CID 70057339) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine
PubChem CID70057339
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC NameN-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine
SMILESCCCC(Nc1cccc2ccccc12)c1cccc(OC)c1
InChIInChI=1S/C21H23NO/c1-3-8-20(17-11-6-12-18(15-17)23-2)22-21-14-7-10-16-9-4-5-13-19(16)21/h4-7,9-15,20,22H,3,8H2,1-2H3
InChIKeyTWVHALBOUULBEK-UHFFFAOYSA-N
XLogP5.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60797906
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1-(3-methoxyphenyl)butan-1-ol
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4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline
CID 46204143
N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
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CID 62606041
2-methoxy-N-(1-phenylbutyl)pyridin-3-amine
CID 43721710
3-methoxy-2,4-dimethyl-N-(1-phenylbutyl)aniline
CID 43738935
1-(3-bromohexan-2-yl)-3-methoxybenzene
CID 83051986
(3-methoxyphenyl)-phenanthren-9-ylmethanol
CID 72942494
3-(hydroxymethyl)-4-[[(1R)-1-(3-methoxyphenyl)butyl]amino]quinoline-8-carboxamide
CID 159201934

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine (CID 70057339) is N-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine is CCCC(Nc1cccc2ccccc12)c1cccc(OC)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine?
The InChIKey is TWVHALBOUULBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-3-8-20(17-11-6-12-18(15-17)23-2)22-21-14-7-10-16-9-4-5-13-19(16)21/h4-7,9-15,20,22H,3,8H2,1-2H3.
What are the key properties of N-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine?
N-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine has a molecular weight of 305.42 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine is sourced from PubChem (CID 70057339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).