1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine

C15H21ClN4 — CID 63013718

IUPAC1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
SMILESCC(N)C(c1cccc(Cl)c1)N(C)Cc1nccn1C
InChIInChI=1S/C15H21ClN4/c1-11(17)15(12-5-4-6-13(16)9-12)20(3)10-14-18-7-8-19(14)2/h4-9,11,15H,10,17H2,1-3H3
InChIKeyJVMRDZMUNIBUNL-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.59
Rot. Bonds5

About 1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine

1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine (PubChem CID 63013718) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
PubChem CID63013718
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
SMILESCC(N)C(c1cccc(Cl)c1)N(C)Cc1nccn1C
InChIInChI=1S/C15H21ClN4/c1-11(17)15(12-5-4-6-13(16)9-12)20(3)10-14-18-7-8-19(14)2/h4-9,11,15H,10,17H2,1-3H3
InChIKeyJVMRDZMUNIBUNL-UHFFFAOYSA-N
XLogP2.59
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025487
1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine
CID 63013897
1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 55019737
1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 56828209
3-[[2-amino-1-(3-chlorophenyl)propyl]-methylamino]-2-methylpropanenitrile
CID 55019747
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63369043
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
CID 64708051
4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline
CID 63013171
3-[[2-amino-1-(3-chlorophenyl)propyl]-methylamino]butanenitrile
CID 55174518
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 75369079
(1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 97211639

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine?
The IUPAC name of 1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine (CID 63013718) is 1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine is CC(N)C(c1cccc(Cl)c1)N(C)Cc1nccn1C.
What is the InChIKey of 1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine?
The InChIKey is JVMRDZMUNIBUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-11(17)15(12-5-4-6-13(16)9-12)20(3)10-14-18-7-8-19(14)2/h4-9,11,15H,10,17H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine?
1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine has a molecular weight of 292.81 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 63013718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).