N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)ethanamine

C14H18ClN3 — CID 60694660

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(C)NCc1ncc(Cl)n1C
InChIInChI=1S/C14H18ClN3/c1-10-6-4-5-7-12(10)11(2)16-9-14-17-8-13(15)18(14)3/h4-8,11,16H,9H2,1-3H3
InChIKeyNRLDHUYWUQMWKJ-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.23
Rot. Bonds4

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)ethanamine

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)ethanamine (PubChem CID 60694660) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)ethanamine
PubChem CID60694660
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(C)NCc1ncc(Cl)n1C
InChIInChI=1S/C14H18ClN3/c1-10-6-4-5-7-12(10)11(2)16-9-14-17-8-13(15)18(14)3/h4-8,11,16H,9H2,1-3H3
InChIKeyNRLDHUYWUQMWKJ-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)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

1-(2-methylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 103882358
(1S)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410114
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
CID 43088251
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 60694693
(1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81375507
(2S)-2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-3-methylbutan-1-ol
CID 79249698
N-[(5-chloro-1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088151
(1R)-1-(2,3-dimethylphenyl)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 97334253
(1R)-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374430
(1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375023
(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 83088818
(1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 81363891

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)ethanamine (CID 60694660) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(C)NCc1ncc(Cl)n1C.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is NRLDHUYWUQMWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-10-6-4-5-7-12(10)11(2)16-9-14-17-8-13(15)18(14)3/h4-8,11,16H,9H2,1-3H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)ethanamine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 263.77 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 60694660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).