1-[3-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]propan-2-amine

C14H18ClN3 — CID 114070170

IUPAC1-[3-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]propan-2-amine
SMILESCc1ncn(-c2c(Cl)cccc2CC(C)N)c1C
InChIInChI=1S/C14H18ClN3/c1-9(16)7-12-5-4-6-13(15)14(12)18-8-17-10(2)11(18)3/h4-6,8-9H,7,16H2,1-3H3
InChIKeyAJEYFTPCPCCOIN-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.03
Rot. Bonds3

About 1-[3-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]propan-2-amine

1-[3-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]propan-2-amine (PubChem CID 114070170) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-[3-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]propan-2-amine
PubChem CID114070170
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-[3-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]propan-2-amine
SMILESCc1ncn(-c2c(Cl)cccc2CC(C)N)c1C
InChIInChI=1S/C14H18ClN3/c1-9(16)7-12-5-4-6-13(15)14(12)18-8-17-10(2)11(18)3/h4-6,8-9H,7,16H2,1-3H3
InChIKeyAJEYFTPCPCCOIN-UHFFFAOYSA-N
XLogP3.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-2-(4-methylpyrazol-1-yl)phenyl]propan-2-amine
CID 114070167
1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine
CID 63817111
1-(1-methylimidazo[1,5-a]pyridin-8-yl)propan-2-amine
CID 83864828
1-[(2,3-dichlorophenyl)methyl]-4,5-dimethylimidazole
CID 107091792
2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid
CID 131123294
1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 115958359
2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107311802
1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine
CID 63942141
1-[3-chloro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615570
[2-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methanamine
CID 62352301
1-(3-chloro-2-heptoxyphenyl)propan-2-amine
CID 112615606
1-[2-(bromomethyl)-5-chlorophenyl]-4,5-dimethylimidazole
CID 107086042

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[3-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]propan-2-amine (CID 114070170) is 1-[3-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]propan-2-amine is Cc1ncn(-c2c(Cl)cccc2CC(C)N)c1C.
What is the InChIKey of 1-[3-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]propan-2-amine?
The InChIKey is AJEYFTPCPCCOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9(16)7-12-5-4-6-13(15)14(12)18-8-17-10(2)11(18)3/h4-6,8-9H,7,16H2,1-3H3.
What are the key properties of 1-[3-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]propan-2-amine?
1-[3-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]propan-2-amine has a molecular weight of 263.77 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 114070170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).