1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine

C15H20ClN3 — CID 105049923

IUPAC1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCNC(CCc1nccn1C)c1cc(Cl)ccc1C
InChIInChI=1S/C15H20ClN3/c1-11-4-5-12(16)10-13(11)14(17-2)6-7-15-18-8-9-19(15)3/h4-5,8-10,14,17H,6-7H2,1-3H3
InChIKeyMOVCRPGYRCHOJQ-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.28
Rot. Bonds5

About 1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine

1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 105049923) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID105049923
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCNC(CCc1nccn1C)c1cc(Cl)ccc1C
InChIInChI=1S/C15H20ClN3/c1-11-4-5-12(16)10-13(11)14(17-2)6-7-15-18-8-9-19(15)3/h4-5,8-10,14,17H,6-7H2,1-3H3
InChIKeyMOVCRPGYRCHOJQ-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 114025677
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105187661
[1-(3-chloro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340350
1-(2,5-dichlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61214271
N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine
CID 114530008
1-(3-bromo-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049763
1-(2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529894
N-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 105187738
N-methyl-3-(1-methylimidazol-2-yl)-1-pyridazin-4-ylpropan-1-amine
CID 105187782
1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049845
4-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
CID 63081748
1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 107953783

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine (CID 105049923) is 1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine is CNC(CCc1nccn1C)c1cc(Cl)ccc1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is MOVCRPGYRCHOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-11-4-5-12(16)10-13(11)14(17-2)6-7-15-18-8-9-19(15)3/h4-5,8-10,14,17H,6-7H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 105049923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).