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

C14H18ClN3 — CID 82890952

IUPACN-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1C)c1nccn1C
InChIInChI=1S/C14H18ClN3/c1-4-16-13(14-17-7-8-18(14)3)12-9-11(15)6-5-10(12)2/h5-9,13,16H,4H2,1-3H3
InChIKeyAKNPJPFEMPWPQT-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.08
Rot. Bonds4

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

N-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 82890952) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID82890952
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1C)c1nccn1C
InChIInChI=1S/C14H18ClN3/c1-4-16-13(14-17-7-8-18(14)3)12-9-11(15)6-5-10(12)2/h5-9,13,16H,4H2,1-3H3
InChIKeyAKNPJPFEMPWPQT-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluoro-5-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 62508943
N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315383
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 105395359
N-[(2-chloro-3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 81462073
N-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 79808147
N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine
CID 82870807
N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 54980096
1-(2,5-dimethylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316310
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
N-[(4-chloro-1-ethylpyrazol-5-yl)-(5-chloro-2-methylphenyl)methyl]ethanamine
CID 105040874
N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
CID 82883967
N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 82870566

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine (CID 82890952) is N-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1C)c1nccn1C.
What is the InChIKey of N-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is AKNPJPFEMPWPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-4-16-13(14-17-7-8-18(14)3)12-9-11(15)6-5-10(12)2/h5-9,13,16H,4H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
N-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 263.77 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 82890952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).