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

C15H21ClN4 — CID 63025487

IUPAC1-(3-chlorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
SMILESCN(CCC(N)c1cccc(Cl)c1)Cc1nccn1C
InChIInChI=1S/C15H21ClN4/c1-19(11-15-18-7-9-20(15)2)8-6-14(17)12-4-3-5-13(16)10-12/h3-5,7,9-10,14H,6,8,11,17H2,1-2H3
InChIKeyITHGEKJYHULZPC-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.60
Rot. Bonds6

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

1-(3-chlorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine (PubChem CID 63025487) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
PubChem CID63025487
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name1-(3-chlorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
SMILESCN(CCC(N)c1cccc(Cl)c1)Cc1nccn1C
InChIInChI=1S/C15H21ClN4/c1-19(11-15-18-7-9-20(15)2)8-6-14(17)12-4-3-5-13(16)10-12/h3-5,7,9-10,14H,6,8,11,17H2,1-2H3
InChIKeyITHGEKJYHULZPC-UHFFFAOYSA-N
XLogP2.60
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63013718
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)propane-1,3-diamine
CID 63025144
2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol
CID 64792480
1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine
CID 115317863
1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 62630263
1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 107520978
1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62625223
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079335
1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 56828209
2-ethyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079451
1-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529915
4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol
CID 62630754

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine (CID 63025487) is 1-(3-chlorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine is CN(CCC(N)c1cccc(Cl)c1)Cc1nccn1C.
What is the InChIKey of 1-(3-chlorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine?
The InChIKey is ITHGEKJYHULZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-19(11-15-18-7-9-20(15)2)8-6-14(17)12-4-3-5-13(16)10-12/h3-5,7,9-10,14H,6,8,11,17H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine?
1-(3-chlorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine has a molecular weight of 292.81 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63025487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).