(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine

C16H16F3N — CID 81368634

IUPAC(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
SMILESCC(N[C@H](C)c1cccc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F3N/c1-10(12-4-3-5-14(17)8-12)20-11(2)13-6-7-15(18)16(19)9-13/h3-11,20H,1-2H3/t10-,11?/m1/s1
InChIKeyDUJZOMVHYYTGFQ-NFJWQWPMSA-N
MW279.31 g/mol
LogP4.52
Rot. Bonds4

About (1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine

(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 81368634) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is (1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
PubChem CID81368634
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
SMILESCC(N[C@H](C)c1cccc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F3N/c1-10(12-4-3-5-14(17)8-12)20-11(2)13-6-7-15(18)16(19)9-13/h3-11,20H,1-2H3/t10-,11?/m1/s1
InChIKeyDUJZOMVHYYTGFQ-NFJWQWPMSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol
CID 43205919
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
(1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 82964513
N-[(1S)-1-(3-fluorophenyl)ethyl]but-3-yn-2-amine
CID 104865323
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407
4-[1-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethyl]benzonitrile
CID 81365102
N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine
CID 43080283
4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol
CID 43680984
1-(4-fluorophenyl)-N-[1-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 43685516
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 43131289

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine (CID 81368634) is (1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine is CC(N[C@H](C)c1cccc(F)c1)c1ccc(F)c(F)c1.
What is the InChIKey of (1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is DUJZOMVHYYTGFQ-NFJWQWPMSA-N. The full InChI is InChI=1S/C16H16F3N/c1-10(12-4-3-5-14(17)8-12)20-11(2)13-6-7-15(18)16(19)9-13/h3-11,20H,1-2H3/t10-,11?/m1/s1.
What are the key properties of (1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine?
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 279.31 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 81368634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).