(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine

C15H24N2 — CID 9079311

IUPAC(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@@H](CN)N2CCCCCC2)cc1
InChIInChI=1S/C15H24N2/c1-13-6-8-14(9-7-13)15(12-16)17-10-4-2-3-5-11-17/h6-9,15H,2-5,10-12,16H2,1H3/t15-/m1/s1
InChIKeyCOBRLUMEMZKHLA-OAHLLOKOSA-N
MW232.37 g/mol
LogP2.87
Rot. Bonds3

About (2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine

(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine (PubChem CID 9079311) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
PubChem CID9079311
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@@H](CN)N2CCCCCC2)cc1
InChIInChI=1S/C15H24N2/c1-13-6-8-14(9-7-13)15(12-16)17-10-4-2-3-5-11-17/h6-9,15H,2-5,10-12,16H2,1H3/t15-/m1/s1
InChIKeyCOBRLUMEMZKHLA-OAHLLOKOSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine
CID 82023207
(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 97182151
2-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 82079666
4-(2-amino-1-piperidin-1-ylethyl)phenol
CID 16796139
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142
(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 97182150
4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline
CID 16642839
1-[2-amino-1-(4-methylphenyl)ethyl]piperidin-4-ol
CID 55016646
2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 113457077
2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 62776010
2-(3-chloro-4-methylphenyl)-2-piperidin-1-ylethanamine
CID 106817233
2-(azocan-1-yl)-2-(3-chloro-4-methylphenyl)ethanamine
CID 106817246

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine?
The IUPAC name of (2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine (CID 9079311) is (2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for (2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine?
The canonical SMILES for (2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine is Cc1ccc([C@@H](CN)N2CCCCCC2)cc1.
What is the InChIKey of (2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine?
The InChIKey is COBRLUMEMZKHLA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-6-8-14(9-7-13)15(12-16)17-10-4-2-3-5-11-17/h6-9,15H,2-5,10-12,16H2,1H3/t15-/m1/s1.
What are the key properties of (2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine?
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 9079311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).