3-[2-(1H-imidazol-2-yl)phenyl]butan-1-amine

C13H17N3 — CID 117307083

IUPAC3-[2-(1H-imidazol-2-yl)phenyl]butan-1-amine
SMILESCC(CCN)c1ccccc1-c1ncc[nH]1
InChIInChI=1S/C13H17N3/c1-10(6-7-14)11-4-2-3-5-12(11)13-15-8-9-16-13/h2-5,8-10H,6-7,14H2,1H3,(H,15,16)
InChIKeyKLOINZPWKQJJII-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.53
Rot. Bonds4

About 3-[2-(1H-imidazol-2-yl)phenyl]butan-1-amine

3-[2-(1H-imidazol-2-yl)phenyl]butan-1-amine (PubChem CID 117307083) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-[2-(1H-imidazol-2-yl)phenyl]butan-1-amine.

Molecular Properties

Compound Name3-[2-(1H-imidazol-2-yl)phenyl]butan-1-amine
PubChem CID117307083
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-[2-(1H-imidazol-2-yl)phenyl]butan-1-amine
SMILESCC(CCN)c1ccccc1-c1ncc[nH]1
InChIInChI=1S/C13H17N3/c1-10(6-7-14)11-4-2-3-5-12(11)13-15-8-9-16-13/h2-5,8-10H,6-7,14H2,1H3,(H,15,16)
InChIKeyKLOINZPWKQJJII-UHFFFAOYSA-N
XLogP2.53
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-imidazol-2-yl)phenolate
CID 132599402
[2-(1H-imidazol-2-yl)phenyl]methanol
CID 54081876
2-[2-(2-phenylethylsulfanyl)phenyl]-1H-imidazole
CID 67618157
3-(1H-imidazol-2-yl)-2-methylpyridine
CID 59198842
2-(3-fluoro-2-methylphenyl)-1H-imidazole
CID 55254600
2-butan-2-yl-1H-imidazole;ethane
CID 156722843
2-[2-(methylsulfonylmethyl)phenyl]-1H-imidazole
CID 67618457
1-[[2-(1H-imidazol-2-yl)phenyl]methyl]cyclopropan-1-amine
CID 117304418
2-(1H-imidazol-2-yl)-N-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 74238320
1-(1H-imidazol-2-yl)ethanamine;hydrochloride
CID 86811802
[(2-ethoxyphenyl)-(1H-imidazol-2-yl)methyl]hydrazine
CID 105252010
[3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117354721

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-imidazol-2-yl)phenyl]butan-1-amine?
The IUPAC name of 3-[2-(1H-imidazol-2-yl)phenyl]butan-1-amine (CID 117307083) is 3-[2-(1H-imidazol-2-yl)phenyl]butan-1-amine.
What is the SMILES notation for 3-[2-(1H-imidazol-2-yl)phenyl]butan-1-amine?
The canonical SMILES for 3-[2-(1H-imidazol-2-yl)phenyl]butan-1-amine is CC(CCN)c1ccccc1-c1ncc[nH]1.
What is the InChIKey of 3-[2-(1H-imidazol-2-yl)phenyl]butan-1-amine?
The InChIKey is KLOINZPWKQJJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10(6-7-14)11-4-2-3-5-12(11)13-15-8-9-16-13/h2-5,8-10H,6-7,14H2,1H3,(H,15,16).
What are the key properties of 3-[2-(1H-imidazol-2-yl)phenyl]butan-1-amine?
3-[2-(1H-imidazol-2-yl)phenyl]butan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-imidazol-2-yl)phenyl]butan-1-amine is sourced from PubChem (CID 117307083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).