1-(azepan-1-yl)-2-(4-methoxyphenyl)propan-2-amine

C16H26N2O — CID 43829903

IUPAC1-(azepan-1-yl)-2-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(C(C)(N)CN2CCCCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-16(17,13-18-11-5-3-4-6-12-18)14-7-9-15(19-2)10-8-14/h7-10H,3-6,11-13,17H2,1-2H3
InChIKeyQVQZNFOMGBEVQV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.75
Rot. Bonds4

About 1-(azepan-1-yl)-2-(4-methoxyphenyl)propan-2-amine

1-(azepan-1-yl)-2-(4-methoxyphenyl)propan-2-amine (PubChem CID 43829903) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(4-methoxyphenyl)propan-2-amine
PubChem CID43829903
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(azepan-1-yl)-2-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(C(C)(N)CN2CCCCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-16(17,13-18-11-5-3-4-6-12-18)14-7-9-15(19-2)10-8-14/h7-10H,3-6,11-13,17H2,1-2H3
InChIKeyQVQZNFOMGBEVQV-UHFFFAOYSA-N
XLogP2.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpentan-2-amine
CID 43829937
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
2-(4-methoxyphenyl)pentan-2-amine
CID 43810210
2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine
CID 43829854
2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
CID 43829876
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol
CID 82045025
(E)-1-(4-methoxyphenyl)-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-one;hydrochloride
CID 6474494
2-(4-methoxyphenyl)heptan-2-amine
CID 62621826
3-(azepan-1-yl)-3-(4-methoxyphenyl)butanoic acid
CID 64526937
(2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 92716985
methyl 3-amino-3-(4-methoxyphenyl)butanoate
CID 79848680

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(azepan-1-yl)-2-(4-methoxyphenyl)propan-2-amine (CID 43829903) is 1-(azepan-1-yl)-2-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(azepan-1-yl)-2-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(azepan-1-yl)-2-(4-methoxyphenyl)propan-2-amine is COc1ccc(C(C)(N)CN2CCCCCC2)cc1.
What is the InChIKey of 1-(azepan-1-yl)-2-(4-methoxyphenyl)propan-2-amine?
The InChIKey is QVQZNFOMGBEVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(17,13-18-11-5-3-4-6-12-18)14-7-9-15(19-2)10-8-14/h7-10H,3-6,11-13,17H2,1-2H3.
What are the key properties of 1-(azepan-1-yl)-2-(4-methoxyphenyl)propan-2-amine?
1-(azepan-1-yl)-2-(4-methoxyphenyl)propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 43829903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).