1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine

C18H30N2 — CID 62315357

IUPAC1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
SMILESCCN1CCC(C(C)NCCc2cccc(C)c2)CC1
InChIInChI=1S/C18H30N2/c1-4-20-12-9-18(10-13-20)16(3)19-11-8-17-7-5-6-15(2)14-17/h5-7,14,16,18-19H,4,8-13H2,1-3H3
InChIKeyVJWPCPXGDWRBND-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.25
Rot. Bonds6

About 1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine

1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine (PubChem CID 62315357) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
PubChem CID62315357
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
SMILESCCN1CCC(C(C)NCCc2cccc(C)c2)CC1
InChIInChI=1S/C18H30N2/c1-4-20-12-9-18(10-13-20)16(3)19-11-8-17-7-5-6-15(2)14-17/h5-7,14,16,18-19H,4,8-13H2,1-3H3
InChIKeyVJWPCPXGDWRBND-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine
CID 55062566
1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363743
1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 43308024
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
1-cyclopropyl-N-(2-phenylethyl)ethanamine
CID 43178582
N-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 60873909
1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 113350740
3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312988
1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43777654
4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine
CID 61241070
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 63477985

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine (CID 62315357) is 1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine is CCN1CCC(C(C)NCCc2cccc(C)c2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine?
The InChIKey is VJWPCPXGDWRBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-20-12-9-18(10-13-20)16(3)19-11-8-17-7-5-6-15(2)14-17/h5-7,14,16,18-19H,4,8-13H2,1-3H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine?
1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 62315357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).