3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine

C16H17F2N — CID 105374999

IUPAC3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
SMILESCc1ccc(F)cc1CC(CN)c1ccc(F)cc1
InChIInChI=1S/C16H17F2N/c1-11-2-5-16(18)9-13(11)8-14(10-19)12-3-6-15(17)7-4-12/h2-7,9,14H,8,10,19H2,1H3
InChIKeyOKFIMSNKFIXHEI-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.56
Rot. Bonds4

About 3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine

3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine (PubChem CID 105374999) has the molecular formula C16H17F2N and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
PubChem CID105374999
Molecular FormulaC16H17F2N
Molecular Weight261.32 g/mol
Exact Mass261.13
IUPAC Name3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
SMILESCc1ccc(F)cc1CC(CN)c1ccc(F)cc1
InChIInChI=1S/C16H17F2N/c1-11-2-5-16(18)9-13(11)8-14(10-19)12-3-6-15(17)7-4-12/h2-7,9,14H,8,10,19H2,1H3
InChIKeyOKFIMSNKFIXHEI-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 ≤ 500261.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine
CID 105375007
2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114348931
3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 102619951
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)propan-1-amine
CID 79441820
2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83973785
2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375163
2-(3,4-difluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83973724
2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine
CID 79442407
3-(4-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 114349840
3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 15014589
1-(3,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373778
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373640

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine (CID 105374999) is 3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine is Cc1ccc(F)cc1CC(CN)c1ccc(F)cc1.
What is the InChIKey of 3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine?
The InChIKey is OKFIMSNKFIXHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11-2-5-16(18)9-13(11)8-14(10-19)12-3-6-15(17)7-4-12/h2-7,9,14H,8,10,19H2,1H3.
What are the key properties of 3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine?
3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine has a molecular weight of 261.32 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 3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 105374999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).