1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine

C16H17F2N — CID 105373749

IUPAC1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
SMILESCc1ccc(F)cc1CC(N)Cc1cccc(F)c1
InChIInChI=1S/C16H17F2N/c1-11-5-6-15(18)9-13(11)10-16(19)8-12-3-2-4-14(17)7-12/h2-7,9,16H,8,10,19H2,1H3
InChIKeyHCXCISHCLBQDKB-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.39
Rot. Bonds4

About 1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine

1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine (PubChem CID 105373749) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
PubChem CID105373749
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
SMILESCc1ccc(F)cc1CC(N)Cc1cccc(F)c1
InChIInChI=1S/C16H17F2N/c1-11-5-6-15(18)9-13(11)10-16(19)8-12-3-2-4-14(17)7-12/h2-7,9,16H,8,10,19H2,1H3
InChIKeyHCXCISHCLBQDKB-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373859
1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 105373754
2-[2-(chloromethyl)-3-(3-fluorophenyl)propyl]-4-fluoro-1-methylbenzene
CID 105376010
1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
CID 62720947
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine
CID 114931874
1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641
1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 102618765
1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 105051169
1-(5-fluoro-2-methylphenyl)nonan-2-amine
CID 105377125
1-(5-fluoro-2-methylphenyl)undecan-2-amine
CID 105377088
2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529396

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine (CID 105373749) is 1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine is Cc1ccc(F)cc1CC(N)Cc1cccc(F)c1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine?
The InChIKey is HCXCISHCLBQDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11-5-6-15(18)9-13(11)10-16(19)8-12-3-2-4-14(17)7-12/h2-7,9,16H,8,10,19H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine?
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine has a molecular weight of 261.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 105373749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).