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

C16H16Cl2FN — CID 83069629

IUPAC(1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
SMILESCC(N[C@H](C)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H16Cl2FN/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
InChIKeyMBGMJNWFMXGCES-NFJWQWPMSA-N
MW312.22 g/mol
LogP5.54
Rot. Bonds4

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

(1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine (PubChem CID 83069629) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is (1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
PubChem CID83069629
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC Name(1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
SMILESCC(N[C@H](C)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H16Cl2FN/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
InChIKeyMBGMJNWFMXGCES-NFJWQWPMSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.22
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
N-[1-(4-chloro-3-fluorophenyl)ethyl]propan-2-amine
CID 59146352
2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline
CID 72566162
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83057829
(1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81365988
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 83059762
1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 82888806
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81366687
(2R)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propan-1-ol
CID 114987165
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 43767407
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 82964670
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline
CID 83069531

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine?
The IUPAC name of (1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine (CID 83069629) is (1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine is CC(N[C@H](C)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1.
What is the InChIKey of (1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine?
The InChIKey is MBGMJNWFMXGCES-NFJWQWPMSA-N. The full InChI is InChI=1S/C16H16Cl2FN/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-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine?
(1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine has a molecular weight of 312.22 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 83069629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).