(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine

C16H17ClFN — CID 104930243

IUPAC(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@@H](C)NCc2cccc(Cl)c2F)c1
InChIInChI=1S/C16H17ClFN/c1-11-5-3-6-13(9-11)12(2)19-10-14-7-4-8-15(17)16(14)18/h3-9,12,19H,10H2,1-2H3/t12-/m1/s1
InChIKeyGHPATIYSKLSJDF-GFCCVEGCSA-N
MW277.77 g/mol
LogP4.64
Rot. Bonds4

About (1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine

(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 104930243) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is (1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
PubChem CID104930243
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@@H](C)NCc2cccc(Cl)c2F)c1
InChIInChI=1S/C16H17ClFN/c1-11-5-3-6-13(9-11)12(2)19-10-14-7-4-8-15(17)16(14)18/h3-9,12,19H,10H2,1-2H3/t12-/m1/s1
InChIKeyGHPATIYSKLSJDF-GFCCVEGCSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 103940649
(1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 103991886
N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 115664149
N-[(3-chloro-2-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 115664143
2-fluoro-3-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 103993742
(1R)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363606
N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43080559
(1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363977
4-fluoro-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 107694502
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81360440
(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363727
1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 43178091

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine (CID 104930243) is (1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine is Cc1cccc([C@@H](C)NCc2cccc(Cl)c2F)c1.
What is the InChIKey of (1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is GHPATIYSKLSJDF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11-5-3-6-13(9-11)12(2)19-10-14-7-4-8-15(17)16(14)18/h3-9,12,19H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine?
(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 104930243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).