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

C14H18ClN3 — CID 114266059

IUPAC(1R)-1-[1-[(4-chlorophenyl)methyl]-2-ethylimidazol-4-yl]ethanamine
SMILESCCc1nc([C@@H](C)N)cn1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-3-14-17-13(10(2)16)9-18(14)8-11-4-6-12(15)7-5-11/h4-7,9-10H,3,8,16H2,1-2H3/t10-/m1/s1
InChIKeyWZKUDKOZDDHXBC-SNVBAGLBSA-N
MW263.77 g/mol
LogP3.17
Rot. Bonds4

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

(1R)-1-[1-[(4-chlorophenyl)methyl]-2-ethylimidazol-4-yl]ethanamine (PubChem CID 114266059) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is (1R)-1-[1-[(4-chlorophenyl)methyl]-2-ethylimidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[1-[(4-chlorophenyl)methyl]-2-ethylimidazol-4-yl]ethanamine
PubChem CID114266059
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name(1R)-1-[1-[(4-chlorophenyl)methyl]-2-ethylimidazol-4-yl]ethanamine
SMILESCCc1nc([C@@H](C)N)cn1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-3-14-17-13(10(2)16)9-18(14)8-11-4-6-12(15)7-5-11/h4-7,9-10H,3,8,16H2,1-2H3/t10-/m1/s1
InChIKeyWZKUDKOZDDHXBC-SNVBAGLBSA-N
XLogP3.17
TPSA43.84 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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(1,2-diethylimidazol-4-yl)ethanamine
CID 130502437
1-[1-[(4-chlorophenyl)methyl]triazol-4-yl]ethanamine
CID 114419662
(1S)-1-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 54758434
(1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
CID 114265955
(1S)-1-[3-[(3-chloro-4-fluorophenyl)methyl]imidazol-4-yl]ethanamine
CID 104942900
1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
CID 114265923
(1S)-1-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropan-1-amine
CID 54758337
1-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359722
1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylic acid
CID 158099732
1-[1-[(5-fluoro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethanamine
CID 114265918
4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol
CID 114419757
1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazol-4-amine
CID 83222945

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[(4-chlorophenyl)methyl]-2-ethylimidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[1-[(4-chlorophenyl)methyl]-2-ethylimidazol-4-yl]ethanamine (CID 114266059) is (1R)-1-[1-[(4-chlorophenyl)methyl]-2-ethylimidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[1-[(4-chlorophenyl)methyl]-2-ethylimidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[1-[(4-chlorophenyl)methyl]-2-ethylimidazol-4-yl]ethanamine is CCc1nc([C@@H](C)N)cn1Cc1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-[1-[(4-chlorophenyl)methyl]-2-ethylimidazol-4-yl]ethanamine?
The InChIKey is WZKUDKOZDDHXBC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-3-14-17-13(10(2)16)9-18(14)8-11-4-6-12(15)7-5-11/h4-7,9-10H,3,8,16H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[1-[(4-chlorophenyl)methyl]-2-ethylimidazol-4-yl]ethanamine?
(1R)-1-[1-[(4-chlorophenyl)methyl]-2-ethylimidazol-4-yl]ethanamine has a molecular weight of 263.77 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[(4-chlorophenyl)methyl]-2-ethylimidazol-4-yl]ethanamine is sourced from PubChem (CID 114266059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).