1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine

C15H20FN3 — CID 114705691

IUPAC1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCc1cc(-n2cncc2C(N)CC(C)C)ccc1F
InChIInChI=1S/C15H20FN3/c1-10(2)6-14(17)15-8-18-9-19(15)12-4-5-13(16)11(3)7-12/h4-5,7-10,14H,6,17H2,1-3H3
InChIKeyOFAKYWSVWIQIPT-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.37
Rot. Bonds4

About 1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine

1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 114705691) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID114705691
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCc1cc(-n2cncc2C(N)CC(C)C)ccc1F
InChIInChI=1S/C15H20FN3/c1-10(2)6-14(17)15-8-18-9-19(15)12-4-5-13(16)11(3)7-12/h4-5,7-10,14H,6,17H2,1-3H3
InChIKeyOFAKYWSVWIQIPT-UHFFFAOYSA-N
XLogP3.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706014
1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114702764
1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703449
1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706294
3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine
CID 114704021
3-methyl-1-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]butan-1-amine
CID 114706948
1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114702775
3-methyl-1-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine
CID 114705989
1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114223411
1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine
CID 114703383
(1R)-1-[3-(4-ethyl-3-methylphenyl)imidazol-4-yl]propan-1-amine
CID 114250822
3-methyl-1-[3-(1H-pyrazol-4-yl)imidazol-4-yl]butan-1-amine
CID 114704124

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine (CID 114705691) is 1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine is Cc1cc(-n2cncc2C(N)CC(C)C)ccc1F.
What is the InChIKey of 1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is OFAKYWSVWIQIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-10(2)6-14(17)15-8-18-9-19(15)12-4-5-13(16)11(3)7-12/h4-5,7-10,14H,6,17H2,1-3H3.
What are the key properties of 1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 114705691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).