(1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine

C15H14Cl2FN — CID 104980004

IUPAC(1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(Cl)cc1F)c1ccccc1Cl
InChIInChI=1S/C15H14Cl2FN/c1-10(13-4-2-3-5-14(13)17)19-9-11-6-7-12(16)8-15(11)18/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyZWUIZDOIPIBQDC-SNVBAGLBSA-N
MW298.19 g/mol
LogP4.98
Rot. Bonds4

About (1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine

(1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine (PubChem CID 104980004) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is (1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
PubChem CID104980004
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name(1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(Cl)cc1F)c1ccccc1Cl
InChIInChI=1S/C15H14Cl2FN/c1-10(13-4-2-3-5-14(13)17)19-9-11-6-7-12(16)8-15(11)18/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyZWUIZDOIPIBQDC-SNVBAGLBSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 28520409
(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377623
(1R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377900
4-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]benzene-1,3-diol
CID 28649171
4-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-3-fluorobenzamide
CID 81375322
(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 81377742
(1S)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104979988
N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 114841425
N-[(4-chloro-2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114841774
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 43178075
(1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104979999
(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 102615848

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine (CID 104980004) is (1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine is C[C@@H](NCc1ccc(Cl)cc1F)c1ccccc1Cl.
What is the InChIKey of (1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine?
The InChIKey is ZWUIZDOIPIBQDC-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-10(13-4-2-3-5-14(13)17)19-9-11-6-7-12(16)8-15(11)18/h2-8,10,19H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine?
(1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine has a molecular weight of 298.19 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine is sourced from PubChem (CID 104980004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).