1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine

C17H20FN — CID 114347770

IUPAC1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(N)Cc1ccc(F)cc1C
InChIInChI=1S/C17H20FN/c1-12-5-3-4-6-14(12)10-17(19)11-15-7-8-16(18)9-13(15)2/h3-9,17H,10-11,19H2,1-2H3
InChIKeyRQYXVBKRLHAGRT-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.56
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine

1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine (PubChem CID 114347770) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
PubChem CID114347770
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(N)Cc1ccc(F)cc1C
InChIInChI=1S/C17H20FN/c1-12-5-3-4-6-14(12)10-17(19)11-15-7-8-16(18)9-13(15)2/h3-9,17H,10-11,19H2,1-2H3
InChIKeyRQYXVBKRLHAGRT-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
CID 62720947
1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 102618765
1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine
CID 114347745
1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 105051169
1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347640
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 114348029
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62136472
1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine
CID 105051172
1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 79708482
(2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 165410235

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine (CID 114347770) is 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine is Cc1ccccc1CC(N)Cc1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine?
The InChIKey is RQYXVBKRLHAGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-12-5-3-4-6-14(12)10-17(19)11-15-7-8-16(18)9-13(15)2/h3-9,17H,10-11,19H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine?
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine has a molecular weight of 257.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 114347770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).