(1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine

C13H17N3 — CID 103959121

IUPAC(1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1-n1ccnc1C
InChIInChI=1S/C13H17N3/c1-3-12(14)11-6-4-5-7-13(11)16-9-8-15-10(16)2/h4-9,12H,3,14H2,1-2H3/t12-/m0/s1
InChIKeyBZYJSSIBJGCLFM-LBPRGKRZSA-N
MW215.30 g/mol
LogP2.59
Rot. Bonds3

About (1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine

(1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine (PubChem CID 103959121) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is (1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine
PubChem CID103959121
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name(1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1-n1ccnc1C
InChIInChI=1S/C13H17N3/c1-3-12(14)11-6-4-5-7-13(11)16-9-8-15-10(16)2/h4-9,12H,3,14H2,1-2H3/t12-/m0/s1
InChIKeyBZYJSSIBJGCLFM-LBPRGKRZSA-N
XLogP2.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine
CID 113358871
(1R)-1-[2-(4,5-dimethylimidazol-1-yl)phenyl]propan-1-amine
CID 103959144
1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine
CID 112678344
2-(2-methylimidazol-1-yl)aniline;hydrochloride
CID 126802319
[2-(2-methylimidazol-1-yl)phenyl]-thiophen-2-ylmethanol
CID 13247691
1-[2-(1-aminopropyl)phenyl]imidazole-4,5-dicarbonitrile
CID 112678375
[5-chloro-2-(2-methylimidazol-1-yl)phenyl]-phenylmethanamine;hydrobromide
CID 21439103
(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-ol
CID 103960371
2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone
CID 83821528
1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 43188939
1-[3-bromo-4-(2-methylimidazol-1-yl)phenyl]butan-2-amine
CID 114063046
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine (CID 103959121) is (1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine is CC[C@H](N)c1ccccc1-n1ccnc1C.
What is the InChIKey of (1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine?
The InChIKey is BZYJSSIBJGCLFM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-12(14)11-6-4-5-7-13(11)16-9-8-15-10(16)2/h4-9,12H,3,14H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine?
(1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 103959121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).