(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine

C16H17Cl2N — CID 81355519

IUPAC(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C16H17Cl2N/c1-11(13-7-9-14(17)10-8-13)19-12(2)15-5-3-4-6-16(15)18/h3-12,19H,1-2H3/t11-,12?/m1/s1
InChIKeyGHKCQAPYTMOBDU-JHJMLUEUSA-N
MW294.23 g/mol
LogP5.41
Rot. Bonds4

About (1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine

(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine (PubChem CID 81355519) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
PubChem CID81355519
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C16H17Cl2N/c1-11(13-7-9-14(17)10-8-13)19-12(2)15-5-3-4-6-16(15)18/h3-12,19H,1-2H3/t11-,12?/m1/s1
InChIKeyGHKCQAPYTMOBDU-JHJMLUEUSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.23
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350627
1-(3-chloro-4-fluorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 43110891
N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine
CID 43080283
4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile
CID 43202684
N-[1-(2-chlorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine
CID 43297355
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 81377556
N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine
CID 55032423
(1R)-1-(4-chlorophenyl)-N-[1-(2-nitrophenyl)ethyl]ethanamine
CID 81349871
(1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
CID 81377416
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 79691249
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634
1-(3-bromo-4-methoxyphenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]ethanamine
CID 81374017

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine (CID 81355519) is (1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine is CC(N[C@H](C)c1ccc(Cl)cc1)c1ccccc1Cl.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine?
The InChIKey is GHKCQAPYTMOBDU-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-11(13-7-9-14(17)10-8-13)19-12(2)15-5-3-4-6-16(15)18/h3-12,19H,1-2H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine?
(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine has a molecular weight of 294.23 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine is sourced from PubChem (CID 81355519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).