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

C15H20ClN3 — CID 81353111

IUPAC(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1CN[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3/c1-3-9-19-10-8-17-15(19)11-18-12(2)13-4-6-14(16)7-5-13/h4-8,10,12,18H,3,9,11H2,1-2H3/t12-/m1/s1
InChIKeyIHGPPMBWGLFULO-GFCCVEGCSA-N
MW277.80 g/mol
LogP3.80
Rot. Bonds6

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

(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine (PubChem CID 81353111) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
PubChem CID81353111
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1CN[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3/c1-3-9-19-10-8-17-15(19)11-18-12(2)13-4-6-14(16)7-5-13/h4-8,10,12,18H,3,9,11H2,1-2H3/t12-/m1/s1
InChIKeyIHGPPMBWGLFULO-GFCCVEGCSA-N
XLogP3.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]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-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 66243851
1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 55152900
(1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 94410101
1-(2,5-dimethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956848
N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 62956864
[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105193319
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956669
1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79752002
N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61318759
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 79237242
N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
CID 63975816
(1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]ethanamine
CID 97308675

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine (CID 81353111) is (1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine is CCCn1ccnc1CN[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The InChIKey is IHGPPMBWGLFULO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-3-9-19-10-8-17-15(19)11-18-12(2)13-4-6-14(16)7-5-13/h4-8,10,12,18H,3,9,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine has a molecular weight of 277.80 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 81353111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).