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

C16H16ClF2N — CID 81351513

IUPAC(1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(N[C@H](C)c1ccc(F)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClF2N/c1-10(12-3-6-14(18)7-4-12)20-11(2)13-5-8-16(19)15(17)9-13/h3-11,20H,1-2H3/t10-,11?/m1/s1
InChIKeyRFAIGQZSPPOAGX-NFJWQWPMSA-N
MW295.76 g/mol
LogP5.03
Rot. Bonds4

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

(1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 81351513) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is (1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
PubChem CID81351513
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name(1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(N[C@H](C)c1ccc(F)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClF2N/c1-10(12-3-6-14(18)7-4-12)20-11(2)13-5-8-16(19)15(17)9-13/h3-11,20H,1-2H3/t10-,11?/m1/s1
InChIKeyRFAIGQZSPPOAGX-NFJWQWPMSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.76
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 43108630
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
(1S)-1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]ethanamine
CID 81354920
(1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 8000472
1-(3-chloro-4-fluorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 43110891
(1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine
CID 81352116
1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43200190
1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 81388525
(2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol
CID 114987014
1-(3-chloro-4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106282063
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766668
N-[1-(3-chloro-4-fluorophenyl)ethyl]pentan-2-amine
CID 43093581

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine (CID 81351513) is (1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine is CC(N[C@H](C)c1ccc(F)cc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of (1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is RFAIGQZSPPOAGX-NFJWQWPMSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-10(12-3-6-14(18)7-4-12)20-11(2)13-5-8-16(19)15(17)9-13/h3-11,20H,1-2H3/t10-,11?/m1/s1.
What are the key properties of (1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
(1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 295.76 g/mol, XLogP of 5.03, 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-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 81351513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).