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

C15H21N3 — CID 63942141

IUPAC1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(-n2cnc(C)c2C)c1
InChIInChI=1S/C15H21N3/c1-4-14(16)8-13-6-5-7-15(9-13)18-10-17-11(2)12(18)3/h5-7,9-10,14H,4,8,16H2,1-3H3
InChIKeyFQAJBKQHTYKNMM-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.77
Rot. Bonds4

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

1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine (PubChem CID 63942141) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine
PubChem CID63942141
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(-n2cnc(C)c2C)c1
InChIInChI=1S/C15H21N3/c1-4-14(16)8-13-6-5-7-15(9-13)18-10-17-11(2)12(18)3/h5-7,9-10,14H,4,8,16H2,1-3H3
InChIKeyFQAJBKQHTYKNMM-UHFFFAOYSA-N
XLogP2.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine
CID 63943120
N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 63943468
1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine
CID 63817111
N-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine
CID 79170436
1-[3-(4-bromopyrazol-1-yl)phenyl]butan-2-amine
CID 63943513
1-[3-(2-ethylimidazol-1-yl)phenyl]propan-2-amine
CID 63941358
1-(3-bromophenyl)butan-2-amine;hydrochloride
CID 170888459
1-[2-(aminomethyl)-4-pyridinyl]butan-2-amine
CID 170890841
1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]butan-2-amine
CID 62730775
(1R)-1-[2-(4,5-dimethylimidazol-1-yl)phenyl]propan-1-amine
CID 103959144
1-(3-prop-2-ynoxyphenyl)butan-2-amine
CID 60907609
1-(4,5-dimethylimidazol-1-yl)butan-2-amine
CID 62350728

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine (CID 63942141) is 1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine is CCC(N)Cc1cccc(-n2cnc(C)c2C)c1.
What is the InChIKey of 1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine?
The InChIKey is FQAJBKQHTYKNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-14(16)8-13-6-5-7-15(9-13)18-10-17-11(2)12(18)3/h5-7,9-10,14H,4,8,16H2,1-3H3.
What are the key properties of 1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine?
1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine is sourced from PubChem (CID 63942141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).