N-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine

C15H20ClN3 — CID 106565809

IUPACN-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine
SMILESCCCn1cc(C)nc1NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3/c1-4-9-19-10-11(2)17-15(19)18-12(3)13-5-7-14(16)8-6-13/h5-8,10,12H,4,9H2,1-3H3,(H,17,18)
InChIKeyALOUFINQFIUVJB-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.43
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine

N-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine (PubChem CID 106565809) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine
PubChem CID106565809
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine
SMILESCCCn1cc(C)nc1NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3/c1-4-9-19-10-11(2)17-15(19)18-12(3)13-5-7-14(16)8-6-13/h5-8,10,12H,4,9H2,1-3H3,(H,17,18)
InChIKeyALOUFINQFIUVJB-UHFFFAOYSA-N
XLogP4.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-methyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106562046
N-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106565787
N-[1-(3-bromophenyl)ethyl]-1-butyl-4-methylimidazol-2-amine
CID 106564464
4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine
CID 106574476
N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine
CID 106566702
N-[1-(4-chlorophenyl)ethyl]-1-methyltetrazol-5-amine
CID 63149791
4-methyl-1-propyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine
CID 106565322
1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine
CID 106568860
N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554458
(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81353111
1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine
CID 106567350
N-[1-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106564579

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine (CID 106565809) is N-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine is CCCn1cc(C)nc1NC(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine?
The InChIKey is ALOUFINQFIUVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-4-9-19-10-11(2)17-15(19)18-12(3)13-5-7-14(16)8-6-13/h5-8,10,12H,4,9H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine?
N-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine has a molecular weight of 277.80 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine is sourced from PubChem (CID 106565809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).