2-(azepan-1-yl)-N-ethyl-3-methyl-1-phenylbutan-1-amine

C19H32N2 — CID 63466911

IUPAC2-(azepan-1-yl)-N-ethyl-3-methyl-1-phenylbutan-1-amine
SMILESCCNC(c1ccccc1)C(C(C)C)N1CCCCCC1
InChIInChI=1S/C19H32N2/c1-4-20-18(17-12-8-7-9-13-17)19(16(2)3)21-14-10-5-6-11-15-21/h7-9,12-13,16,18-20H,4-6,10-11,14-15H2,1-3H3
InChIKeyQZPZDZFPOAPKGC-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.24
Rot. Bonds6

About 2-(azepan-1-yl)-N-ethyl-3-methyl-1-phenylbutan-1-amine

2-(azepan-1-yl)-N-ethyl-3-methyl-1-phenylbutan-1-amine (PubChem CID 63466911) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-ethyl-3-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-ethyl-3-methyl-1-phenylbutan-1-amine
PubChem CID63466911
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-(azepan-1-yl)-N-ethyl-3-methyl-1-phenylbutan-1-amine
SMILESCCNC(c1ccccc1)C(C(C)C)N1CCCCCC1
InChIInChI=1S/C19H32N2/c1-4-20-18(17-12-8-7-9-13-17)19(16(2)3)21-14-10-5-6-11-15-21/h7-9,12-13,16,18-20H,4-6,10-11,14-15H2,1-3H3
InChIKeyQZPZDZFPOAPKGC-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutane-1-thiol
CID 23249782
(1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol
CID 23249780
2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine
CID 63467927
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine
CID 61010867
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine
CID 79139729
N-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine
CID 62618034
2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine
CID 62383534
1-[(1S)-3-methyl-1-phenylbutyl]piperidine
CID 92967702

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-ethyl-3-methyl-1-phenylbutan-1-amine?
The IUPAC name of 2-(azepan-1-yl)-N-ethyl-3-methyl-1-phenylbutan-1-amine (CID 63466911) is 2-(azepan-1-yl)-N-ethyl-3-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-(azepan-1-yl)-N-ethyl-3-methyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-(azepan-1-yl)-N-ethyl-3-methyl-1-phenylbutan-1-amine is CCNC(c1ccccc1)C(C(C)C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-ethyl-3-methyl-1-phenylbutan-1-amine?
The InChIKey is QZPZDZFPOAPKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-20-18(17-12-8-7-9-13-17)19(16(2)3)21-14-10-5-6-11-15-21/h7-9,12-13,16,18-20H,4-6,10-11,14-15H2,1-3H3.
What are the key properties of 2-(azepan-1-yl)-N-ethyl-3-methyl-1-phenylbutan-1-amine?
2-(azepan-1-yl)-N-ethyl-3-methyl-1-phenylbutan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-ethyl-3-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 63466911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).