N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine

C18H30N2O — CID 43685208

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NC(C)C1CCN(C)CC1
InChIInChI=1S/C18H30N2O/c1-13-6-7-18(21-5)17(12-13)15(3)19-14(2)16-8-10-20(4)11-9-16/h6-7,12,14-16,19H,8-11H2,1-5H3
InChIKeyHKVGGGQSMOPPJD-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.38
Rot. Bonds5

About N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine

N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 43685208) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
PubChem CID43685208
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NC(C)C1CCN(C)CC1
InChIInChI=1S/C18H30N2O/c1-13-6-7-18(21-5)17(12-13)15(3)19-14(2)16-8-10-20(4)11-9-16/h6-7,12,14-16,19H,8-11H2,1-5H3
InChIKeyHKVGGGQSMOPPJD-UHFFFAOYSA-N
XLogP3.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-methoxy-5-methylphenyl)ethyl]-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

N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43204161
N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 54863063
1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine
CID 62632992
1-cyclopropyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 81397213
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 81371064
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749122
1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine
CID 43747073
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline
CID 43307758
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694423
(1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine
CID 81390923
2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 82303447
4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 43716710

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine (CID 43685208) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine is COc1ccc(C)cc1C(C)NC(C)C1CCN(C)CC1.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is HKVGGGQSMOPPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13-6-7-18(21-5)17(12-13)15(3)19-14(2)16-8-10-20(4)11-9-16/h6-7,12,14-16,19H,8-11H2,1-5H3.
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 43685208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).