N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine

C19H32N2 — CID 63466733

IUPACN-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CN1CCCCCC1)c1ccc(CC)cc1
InChIInChI=1S/C19H32N2/c1-3-13-20-19(16-21-14-7-5-6-8-15-21)18-11-9-17(4-2)10-12-18/h9-12,19-20H,3-8,13-16H2,1-2H3
InChIKeyGSVGRLOBSAYAJE-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.17
Rot. Bonds7

About N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine

N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine (PubChem CID 63466733) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine
PubChem CID63466733
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CN1CCCCCC1)c1ccc(CC)cc1
InChIInChI=1S/C19H32N2/c1-3-13-20-19(16-21-14-7-5-6-8-15-21)18-11-9-17(4-2)10-12-18/h9-12,19-20H,3-8,13-16H2,1-2H3
InChIKeyGSVGRLOBSAYAJE-UHFFFAOYSA-N
XLogP4.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
1-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 16643517
N-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine
CID 61239798
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43496585
1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine
CID 63466191
2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid
CID 82090555
(1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 89003231
1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine
CID 139561533
(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine
CID 11254892
1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 60923581
N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine
CID 43496590

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine (CID 63466733) is N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine is CCCNC(CN1CCCCCC1)c1ccc(CC)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine?
The InChIKey is GSVGRLOBSAYAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-13-20-19(16-21-14-7-5-6-8-15-21)18-11-9-17(4-2)10-12-18/h9-12,19-20H,3-8,13-16H2,1-2H3.
What are the key properties of N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine?
N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63466733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).