2-(2-fluorophenyl)-1-phenylbutan-2-amine

C16H18FN — CID 79007656

IUPAC2-(2-fluorophenyl)-1-phenylbutan-2-amine
SMILESCCC(N)(Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C16H18FN/c1-2-16(18,12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)17/h3-11H,2,12,18H2,1H3
InChIKeyJUAOPXSQNYJPFU-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.63
Rot. Bonds4

About 2-(2-fluorophenyl)-1-phenylbutan-2-amine

2-(2-fluorophenyl)-1-phenylbutan-2-amine (PubChem CID 79007656) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-phenylbutan-2-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-phenylbutan-2-amine
PubChem CID79007656
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name2-(2-fluorophenyl)-1-phenylbutan-2-amine
SMILESCCC(N)(Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C16H18FN/c1-2-16(18,12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)17/h3-11H,2,12,18H2,1H3
InChIKeyJUAOPXSQNYJPFU-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluorophenyl)-1-(3-methylphenyl)butan-2-amine
CID 112679642
1-phenyl-2-(2-propoxyphenyl)butan-2-amine
CID 104659088
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-fluorophenyl)butan-2-amine
CID 115996411
1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996407
2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine
CID 79007872
2-(2-fluorophenyl)-1-pyridin-2-ylbutan-2-amine
CID 112679626
1-(5-bromo-2-fluorophenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996357
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine
CID 112679617
2-(3-fluoro-5-methylphenyl)-1-phenylbutan-2-amine
CID 79703833
2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine
CID 79008004
1-(2-fluorophenyl)-1,2-diphenylethanol
CID 66572227
diethyl 2-benzyl-2-(2-fluorophenyl)propanedioate
CID 114982602

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-phenylbutan-2-amine?
The IUPAC name of 2-(2-fluorophenyl)-1-phenylbutan-2-amine (CID 79007656) is 2-(2-fluorophenyl)-1-phenylbutan-2-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-1-phenylbutan-2-amine?
The canonical SMILES for 2-(2-fluorophenyl)-1-phenylbutan-2-amine is CCC(N)(Cc1ccccc1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-1-phenylbutan-2-amine?
The InChIKey is JUAOPXSQNYJPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-2-16(18,12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)17/h3-11H,2,12,18H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-phenylbutan-2-amine?
2-(2-fluorophenyl)-1-phenylbutan-2-amine has a molecular weight of 243.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-phenylbutan-2-amine is sourced from PubChem (CID 79007656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).