1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine

C17H19F2N — CID 104979722

IUPAC1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
SMILESCC(Cc1cccc(F)c1)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C17H19F2N/c1-12(10-14-4-3-5-17(19)11-14)20-13(2)15-6-8-16(18)9-7-15/h3-9,11-13,20H,10H2,1-2H3/t12?,13-/m0/s1
InChIKeyNUSBFZDJWBRNIF-ABLWVSNPSA-N
MW275.34 g/mol
LogP4.25
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine

1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine (PubChem CID 104979722) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
PubChem CID104979722
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
SMILESCC(Cc1cccc(F)c1)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C17H19F2N/c1-12(10-14-4-3-5-17(19)11-14)20-13(2)15-6-8-16(18)9-7-15/h3-9,11-13,20H,10H2,1-2H3/t12?,13-/m0/s1
InChIKeyNUSBFZDJWBRNIF-ABLWVSNPSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine
CID 104979728
N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114830222
N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828300
1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 104979819
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 63008352
N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828576
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 43695926
2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol
CID 115712077
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 104926148
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43401433
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 63008182

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine (CID 104979722) is 1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine is CC(Cc1cccc(F)c1)N[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine?
The InChIKey is NUSBFZDJWBRNIF-ABLWVSNPSA-N. The full InChI is InChI=1S/C17H19F2N/c1-12(10-14-4-3-5-17(19)11-14)20-13(2)15-6-8-16(18)9-7-15/h3-9,11-13,20H,10H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of 1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine?
1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine has a molecular weight of 275.34 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 104979722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).