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

C16H17F2N — CID 22708367

IUPAC3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine
SMILESCc1ccc(F)cc1C(CCN)c1cccc(F)c1
InChIInChI=1S/C16H17F2N/c1-11-5-6-14(18)10-16(11)15(7-8-19)12-3-2-4-13(17)9-12/h2-6,9-10,15H,7-8,19H2,1H3
InChIKeyHJDUDCIDEPPYPO-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.75
Rot. Bonds4

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

3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine (PubChem CID 22708367) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine
PubChem CID22708367
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine
SMILESCc1ccc(F)cc1C(CCN)c1cccc(F)c1
InChIInChI=1S/C16H17F2N/c1-11-5-6-14(18)10-16(11)15(7-8-19)12-3-2-4-13(17)9-12/h2-6,9-10,15H,7-8,19H2,1H3
InChIKeyHJDUDCIDEPPYPO-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol
CID 65186538
2-(aminomethyl)-3,3-bis(3-fluorophenyl)propan-1-ol;2-[bis(3-fluorophenyl)methyl]butan-1-amine;3,3-bis(2-methoxyphenyl)propan-1-amine;3-(5-fluoro-2-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(3-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 162103294
3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190697
(1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine
CID 171204385
3-amino-1-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65309425
2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine
CID 112562567
[(4-fluoro-2-methylphenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105192975
4-[(1S)-4-bromo-1-(3-fluorophenyl)butyl]-1,2-dimethylbenzene
CID 125465630
(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658
(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517054
3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185576
2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine (CID 22708367) is 3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine is Cc1ccc(F)cc1C(CCN)c1cccc(F)c1.
What is the InChIKey of 3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine?
The InChIKey is HJDUDCIDEPPYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11-5-6-14(18)10-16(11)15(7-8-19)12-3-2-4-13(17)9-12/h2-6,9-10,15H,7-8,19H2,1H3.
What are the key properties of 3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine?
3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine has a molecular weight of 261.31 g/mol, XLogP of 3.75, 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)-3-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 22708367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).