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

C17H20FN — CID 82542782

IUPAC4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine
SMILESCC(CCN)Cc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C17H20FN/c1-13(9-10-19)11-14-5-7-15(8-6-14)16-3-2-4-17(18)12-16/h2-8,12-13H,9-11,19H2,1H3
InChIKeyGFMMWULWWSANPE-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.02
Rot. Bonds5

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

4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine (PubChem CID 82542782) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine
PubChem CID82542782
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine
SMILESCC(CCN)Cc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C17H20FN/c1-13(9-10-19)11-14-5-7-15(8-6-14)16-3-2-4-17(18)12-16/h2-8,12-13H,9-11,19H2,1H3
InChIKeyGFMMWULWWSANPE-UHFFFAOYSA-N
XLogP4.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine
CID 82542776
5-[3-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine
CID 82542777
4-(4-fluorophenyl)-3-methylbutan-1-amine
CID 79003663
3-[4-(4-amino-2-methylbutyl)phenyl]benzoic acid
CID 82542556
1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine
CID 82540477
4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine
CID 82542750
4-(4-fluoro-3-methylphenyl)-3-methylbutan-1-amine
CID 83931066
1-fluoro-3-[4-(methoxymethyl)phenyl]benzene
CID 143262024
3-[5-(3-fluorophenyl)-3-pyridinyl]butan-1-amine
CID 82542784
N-[(3-fluorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544158
(2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide
CID 121266382
4-[3-(5-amino-3-methylpentyl)phenyl]phenol
CID 82542822

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine?
The IUPAC name of 4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine (CID 82542782) is 4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine.
What is the SMILES notation for 4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine?
The canonical SMILES for 4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine is CC(CCN)Cc1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of 4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine?
The InChIKey is GFMMWULWWSANPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-13(9-10-19)11-14-5-7-15(8-6-14)16-3-2-4-17(18)12-16/h2-8,12-13H,9-11,19H2,1H3.
What are the key properties of 4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine?
4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine is sourced from PubChem (CID 82542782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).