N-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine

C14H18ClN3 — CID 107560646

IUPACN-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(Cl)c1)c1cncn1C
InChIInChI=1S/C14H18ClN3/c1-4-17-14(13-8-16-9-18(13)3)11-6-5-10(2)12(15)7-11/h5-9,14,17H,4H2,1-3H3
InChIKeyUTKXDSUUXIVTBM-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.08
Rot. Bonds4

About N-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine

N-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine (PubChem CID 107560646) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine
PubChem CID107560646
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(Cl)c1)c1cncn1C
InChIInChI=1S/C14H18ClN3/c1-4-17-14(13-8-16-9-18(13)3)11-6-5-10(2)12(15)7-11/h5-9,14,17H,4H2,1-3H3
InChIKeyUTKXDSUUXIVTBM-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-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 107561717
N-[(3-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115858232
N-[(3-chloro-4-methylphenyl)-(3-methyl-4-pyridinyl)methyl]ethanamine
CID 107560626
N-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 82901871
N-[(3-chloro-4-methylphenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115808119
N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
CID 107562052
N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
CID 107561653
N-[(3-chloro-4-iodophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107561723
N-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine
CID 63508480
N-[(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 82902794
N-[(3-methylimidazol-4-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 82902463
N-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 82903321

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine (CID 107560646) is N-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine is CCNC(c1ccc(C)c(Cl)c1)c1cncn1C.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine?
The InChIKey is UTKXDSUUXIVTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-4-17-14(13-8-16-9-18(13)3)11-6-5-10(2)12(15)7-11/h5-9,14,17H,4H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine?
N-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-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-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 107560646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).