1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine

C16H26N2O — CID 82710017

IUPAC1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine
SMILESCC(CC1CCCCCN1)NOCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-14(12-16-10-6-3-7-11-17-16)18-19-13-15-8-4-2-5-9-15/h2,4-5,8-9,14,16-18H,3,6-7,10-13H2,1H3
InChIKeyGIXDJRMYWUTCER-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.02
Rot. Bonds6

About 1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine

1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine (PubChem CID 82710017) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine
PubChem CID82710017
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine
SMILESCC(CC1CCCCCN1)NOCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-14(12-16-10-6-3-7-11-17-16)18-19-13-15-8-4-2-5-9-15/h2,4-5,8-9,14,16-18H,3,6-7,10-13H2,1H3
InChIKeyGIXDJRMYWUTCER-UHFFFAOYSA-N
XLogP3.02
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine
CID 79540841
N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline
CID 79559708
(2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol
CID 107862315
N-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540165
[3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol
CID 107229716
1-piperidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine
CID 82711010
N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79548722
4-ethyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549376
2,2-dimethyl-1-phenyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
CID 79536453
N-[1-(azepan-2-yl)propan-2-yl]naphthalen-1-amine
CID 79540649
1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
CID 79553763

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine?
The IUPAC name of 1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine (CID 82710017) is 1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine.
What is the SMILES notation for 1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine?
The canonical SMILES for 1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine is CC(CC1CCCCCN1)NOCc1ccccc1.
What is the InChIKey of 1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine?
The InChIKey is GIXDJRMYWUTCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(12-16-10-6-3-7-11-17-16)18-19-13-15-8-4-2-5-9-15/h2,4-5,8-9,14,16-18H,3,6-7,10-13H2,1H3.
What are the key properties of 1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine?
1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine is sourced from PubChem (CID 82710017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).