N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline

C15H24N2O — CID 54807048

IUPACN-[2-(azepan-1-yl)ethyl]-3-methoxyaniline
SMILESCOc1cccc(NCCN2CCCCCC2)c1
InChIInChI=1S/C15H24N2O/c1-18-15-8-6-7-14(13-15)16-9-12-17-10-4-2-3-5-11-17/h6-8,13,16H,2-5,9-12H2,1H3
InChIKeyWLNYAGLAACBVLS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.98
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline

N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline (PubChem CID 54807048) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-3-methoxyaniline
PubChem CID54807048
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[2-(azepan-1-yl)ethyl]-3-methoxyaniline
SMILESCOc1cccc(NCCN2CCCCCC2)c1
InChIInChI=1S/C15H24N2O/c1-18-15-8-6-7-14(13-15)16-9-12-17-10-4-2-3-5-11-17/h6-8,13,16H,2-5,9-12H2,1H3
InChIKeyWLNYAGLAACBVLS-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-(2-piperidin-1-ylethyl)aniline
CID 54807153
N-[2-(azepan-1-yl)ethyl]-3-(3-methylbutoxy)aniline
CID 54806873
N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline
CID 62575706
5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine
CID 80739266
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline
CID 54806693
2-(3-methoxyanilino)-N-(2-piperidin-1-ylethyl)butanamide
CID 46985963
N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline
CID 54807271
3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline
CID 54806952
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
3-(2-piperidin-1-ylethylamino)benzonitrile
CID 102815794
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093802

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline (CID 54807048) is N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline is COc1cccc(NCCN2CCCCCC2)c1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline?
The InChIKey is WLNYAGLAACBVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-18-15-8-6-7-14(13-15)16-9-12-17-10-4-2-3-5-11-17/h6-8,13,16H,2-5,9-12H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline?
N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline has a molecular weight of 248.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline is sourced from PubChem (CID 54807048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).