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

Name: (1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₆Cl₂FN — CID 83069629

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 CID	83069629
Molecular Formula	C₁₆H₁₆Cl₂FN
Molecular Weight	312.22 g/mol
Exact Mass	311.06
IUPAC Name	(1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
SMILES	CC(N[C@H](C)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1
InChI	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
InChIKey	MBGMJNWFMXGCES-NFJWQWPMSA-N
XLogP	5.54
TPSA	12.03 Å²
H-Bond Donors	1
H-Bond Acceptors	1
Rotatable Bonds	4
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	312.22
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

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).

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Sources

PubChem CID 83069629 — identifiers, structure, computed properties (public domain)

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