1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine

C16H17F2N — CID 115592338

IUPAC1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
SMILESCC(Cc1ccccc1F)NCc1cccc(F)c1
InChIInChI=1S/C16H17F2N/c1-12(9-14-6-2-3-8-16(14)18)19-11-13-5-4-7-15(17)10-13/h2-8,10,12,19H,9,11H2,1H3
InChIKeyPVLCWPHPXWKBPQ-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.69
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine

1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine (PubChem CID 115592338) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
PubChem CID115592338
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
SMILESCC(Cc1ccccc1F)NCc1cccc(F)c1
InChIInChI=1S/C16H17F2N/c1-12(9-14-6-2-3-8-16(14)18)19-11-13-5-4-7-15(17)10-13/h2-8,10,12,19H,9,11H2,1H3
InChIKeyPVLCWPHPXWKBPQ-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine
CID 115592336
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 114828301
N-[(3-fluorophenyl)methyl]pent-4-en-2-amine
CID 115633143
4-[3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenoxy]butanenitrile
CID 119109042
1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43123250
(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
CID 7443154
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
N-[(3-fluorophenyl)methyl]hex-5-en-2-amine
CID 75525500
1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 115626138
N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072
1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine
CID 115592301

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine (CID 115592338) is 1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine is CC(Cc1ccccc1F)NCc1cccc(F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine?
The InChIKey is PVLCWPHPXWKBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-12(9-14-6-2-3-8-16(14)18)19-11-13-5-4-7-15(17)10-13/h2-8,10,12,19H,9,11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine?
1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine has a molecular weight of 261.31 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 115592338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).