1-(3-chlorophenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine

C15H20ClN3 — CID 55019605

IUPAC1-(3-chlorophenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine
SMILESCC(C)c1nccn1C(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C15H20ClN3/c1-10(2)15-18-7-8-19(15)14(11(3)17)12-5-4-6-13(16)9-12/h4-11,14H,17H2,1-3H3
InChIKeyYWRWNNVAIHNZOR-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.60
Rot. Bonds4

About 1-(3-chlorophenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine

1-(3-chlorophenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine (PubChem CID 55019605) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine
PubChem CID55019605
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(3-chlorophenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine
SMILESCC(C)c1nccn1C(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C15H20ClN3/c1-10(2)15-18-7-8-19(15)14(11(3)17)12-5-4-6-13(16)9-12/h4-11,14H,17H2,1-3H3
InChIKeyYWRWNNVAIHNZOR-UHFFFAOYSA-N
XLogP3.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine
CID 55018613
3-[2-[(3-chlorophenyl)-hydroxymethyl]imidazol-1-yl]butanoic acid
CID 174401931
1-[2-amino-1-(3-chlorophenyl)propyl]-1,2,4-triazole-3-carbonitrile
CID 62952201
1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019304
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3-chlorophenyl)propan-2-amine
CID 55038610
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63013718
N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315383
1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine
CID 55019457
[2-[1-(3-chlorophenyl)ethyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate
CID 66771446
1-(3-chlorophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 62647172

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine (CID 55019605) is 1-(3-chlorophenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine is CC(C)c1nccn1C(c1cccc(Cl)c1)C(C)N.
What is the InChIKey of 1-(3-chlorophenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine?
The InChIKey is YWRWNNVAIHNZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-10(2)15-18-7-8-19(15)14(11(3)17)12-5-4-6-13(16)9-12/h4-11,14H,17H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine?
1-(3-chlorophenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine has a molecular weight of 277.80 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine is sourced from PubChem (CID 55019605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).