3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine

C18H30N2O — CID 43829999

IUPAC3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine
SMILESCCC(N1CCCCCC1)C(C)(N)c1cccc(OC)c1
InChIInChI=1S/C18H30N2O/c1-4-17(20-12-7-5-6-8-13-20)18(2,19)15-10-9-11-16(14-15)21-3/h9-11,14,17H,4-8,12-13,19H2,1-3H3
InChIKeyPVFFPFPTHLJPLM-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.52
Rot. Bonds5

About 3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine

3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine (PubChem CID 43829999) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine.

Molecular Properties

Compound Name3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine
PubChem CID43829999
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine
SMILESCCC(N1CCCCCC1)C(C)(N)c1cccc(OC)c1
InChIInChI=1S/C18H30N2O/c1-4-17(20-12-7-5-6-8-13-20)18(2,19)15-10-9-11-16(14-15)21-3/h9-11,14,17H,4-8,12-13,19H2,1-3H3
InChIKeyPVFFPFPTHLJPLM-UHFFFAOYSA-N
XLogP3.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
CID 43830019
2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine
CID 43829854
2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
CID 43829876
(1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 102167719
2-(3-methoxyphenyl)-4-methylhexan-2-amine
CID 62622006
2-ethyl-2-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine
CID 19701549
3-(3-methoxyphenyl)-3-piperidin-1-ylbutanoic acid
CID 64527215
2-(3-methoxyphenyl)hexan-2-amine
CID 62620704
formaldehyde;2-(3-methoxyphenyl)propan-2-amine
CID 143998972
1-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 82236080
4-butan-2-ylmorpholine;1-methoxy-3-(trifluoromethyl)benzene
CID 177204961
4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine
CID 112501196

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine?
The IUPAC name of 3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine (CID 43829999) is 3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine.
What is the SMILES notation for 3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine?
The canonical SMILES for 3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine is CCC(N1CCCCCC1)C(C)(N)c1cccc(OC)c1.
What is the InChIKey of 3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine?
The InChIKey is PVFFPFPTHLJPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-17(20-12-7-5-6-8-13-20)18(2,19)15-10-9-11-16(14-15)21-3/h9-11,14,17H,4-8,12-13,19H2,1-3H3.
What are the key properties of 3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine?
3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine is sourced from PubChem (CID 43829999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).