2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine

C14H18ClN3 — CID 55064912

IUPAC2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
SMILESCCn1ccnc1CNCCc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-2-18-10-9-17-14(18)11-16-8-7-12-3-5-13(15)6-4-12/h3-6,9-10,16H,2,7-8,11H2,1H3
InChIKeyWAPTVAMICYCMKP-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.89
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine

2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine (PubChem CID 55064912) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
PubChem CID55064912
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
SMILESCCn1ccnc1CNCCc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-2-18-10-9-17-14(18)11-16-8-7-12-3-5-13(15)6-4-12/h3-6,9-10,16H,2,7-8,11H2,1H3
InChIKeyWAPTVAMICYCMKP-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 46784377
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 46784408
N-[(1-ethylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64546572
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine
CID 60687993
N-[[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 103038794
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 62355684
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79738438
N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63830781
N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 62351528
2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine
CID 82558058
N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine
CID 116642955

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine (CID 55064912) is 2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine is CCn1ccnc1CNCCc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine?
The InChIKey is WAPTVAMICYCMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-2-18-10-9-17-14(18)11-16-8-7-12-3-5-13(15)6-4-12/h3-6,9-10,16H,2,7-8,11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine?
2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine has a molecular weight of 263.77 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 55064912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).