N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine

C17H28N2 — CID 103779601

IUPACN-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCCc1ccc(CNC(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-4-15-5-7-16(8-6-15)13-18-14(2)17-9-11-19(3)12-10-17/h5-8,14,17-18H,4,9-13H2,1-3H3
InChIKeyMXMDGGWLWBHTHF-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.07
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine

N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 103779601) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
PubChem CID103779601
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCCc1ccc(CNC(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-4-15-5-7-16(8-6-15)13-18-14(2)17-9-11-19(3)12-10-17/h5-8,14,17-18H,4,9-13H2,1-3H3
InChIKeyMXMDGGWLWBHTHF-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)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

(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81386101
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
N-methyl-4-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
CID 43308095
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 62539575
(1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 93283678
1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 43308024
1-cyclopropyl-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79979277
N-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 54937659
4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol
CID 114331379
1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308377
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 60873726

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine (CID 103779601) is N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine is CCc1ccc(CNC(C)C2CCN(C)CC2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is MXMDGGWLWBHTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-15-5-7-16(8-6-15)13-18-14(2)17-9-11-19(3)12-10-17/h5-8,14,17-18H,4,9-13H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 103779601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).