1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine

C17H20FN — CID 62365879

IUPAC1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(N)Cc2ccccc2F)c1
InChIInChI=1S/C17H20FN/c1-13-5-4-6-14(11-13)9-10-16(19)12-15-7-2-3-8-17(15)18/h2-8,11,16H,9-10,12,19H2,1H3
InChIKeyDXQJQPFXQGRJEW-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.64
Rot. Bonds5

About 1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine

1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine (PubChem CID 62365879) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
PubChem CID62365879
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(N)Cc2ccccc2F)c1
InChIInChI=1S/C17H20FN/c1-13-5-4-6-14(11-13)9-10-16(19)12-15-7-2-3-8-17(15)18/h2-8,11,16H,9-10,12,19H2,1H3
InChIKeyDXQJQPFXQGRJEW-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
1-(2-chloro-4-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 105133510
1-(4-chloro-3-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 107892082
4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine
CID 62367106
1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine
CID 112653635
1-(2,4-difluorophenyl)-4-phenylbutan-2-amine
CID 62196088
1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine
CID 105177799
[1-(2,3-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105298035
1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine
CID 114347745
1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine
CID 55095032
5,7-dimethyl-1-(3-methylphenyl)octan-3-amine
CID 114201728
1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 107130176

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine (CID 62365879) is 1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine is Cc1cccc(CCC(N)Cc2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine?
The InChIKey is DXQJQPFXQGRJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-13-5-4-6-14(11-13)9-10-16(19)12-15-7-2-3-8-17(15)18/h2-8,11,16H,9-10,12,19H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine?
1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine has a molecular weight of 257.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 62365879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).