2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine

C17H20FN — CID 82089305

IUPAC2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FN/c1-12(2)17(11-19)15-5-3-13(4-6-15)14-7-9-16(18)10-8-14/h3-10,12,17H,11,19H2,1-2H3
InChIKeyXIYZJNBTVJCDBE-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.19
Rot. Bonds4

About 2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine

2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine (PubChem CID 82089305) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine
PubChem CID82089305
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FN/c1-12(2)17(11-19)15-5-3-13(4-6-15)14-7-9-16(18)10-8-14/h3-10,12,17H,11,19H2,1-2H3
InChIKeyXIYZJNBTVJCDBE-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluorophenyl)-2-methylbutan-1-amine
CID 81010865
1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene
CID 79018716
3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 65189466
(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
CID 170910887
2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine
CID 83930930
1-fluoro-4-(2-methylheptan-3-yl)benzene
CID 57227852
5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol
CID 83699285
3-(4-fluorophenyl)pentan-2-amine
CID 66437850
3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185730
1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913486
2-(4-butylphenyl)-3-methylbutan-1-amine
CID 112507875
1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol
CID 65187887

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine (CID 82089305) is 2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine is CC(C)C(CN)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine?
The InChIKey is XIYZJNBTVJCDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-12(2)17(11-19)15-5-3-13(4-6-15)14-7-9-16(18)10-8-14/h3-10,12,17H,11,19H2,1-2H3.
What are the key properties of 2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine?
2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine is sourced from PubChem (CID 82089305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).