N-[[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine

C15H20ClN3 — CID 66150084

IUPACN-[[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1C(C)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3/c1-11(2)18-9-15-8-17-10-19(15)12(3)13-5-4-6-14(16)7-13/h4-8,10-12,18H,9H2,1-3H3
InChIKeyYRADQUDPYVMZLC-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.64
Rot. Bonds5

About N-[[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine

N-[[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66150084) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID66150084
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-[[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1C(C)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3/c1-11(2)18-9-15-8-17-10-19(15)12(3)13-5-4-6-14(16)7-13/h4-8,10-12,18H,9H2,1-3H3
InChIKeyYRADQUDPYVMZLC-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[1-(3-bromophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66149676
N-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66149670
N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine
CID 19841742
N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine
CID 66148577
(1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
CID 81363404
2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine
CID 114719041
3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine
CID 114719040
2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol
CID 66162781
N-[[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66147536
1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 46398344
(1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 81372404
N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 66146288

Frequently Asked Questions

What is the IUPAC name of N-[[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine (CID 66150084) is N-[[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cncn1C(C)c1cccc(Cl)c1.
What is the InChIKey of N-[[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is YRADQUDPYVMZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-11(2)18-9-15-8-17-10-19(15)12(3)13-5-4-6-14(16)7-13/h4-8,10-12,18H,9H2,1-3H3.
What are the key properties of N-[[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine?
N-[[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 277.80 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66150084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).