(1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine

C16H17ClFN — CID 103991886

IUPAC(1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@H](C)NCc2cc(Cl)ccc2F)c1
InChIInChI=1S/C16H17ClFN/c1-11-4-3-5-13(8-11)12(2)19-10-14-9-15(17)6-7-16(14)18/h3-9,12,19H,10H2,1-2H3/t12-/m0/s1
InChIKeyHQWKNCKBNIJVIF-LBPRGKRZSA-N
MW277.77 g/mol
LogP4.64
Rot. Bonds4

About (1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine

(1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 103991886) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is (1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
PubChem CID103991886
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name(1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@H](C)NCc2cc(Cl)ccc2F)c1
InChIInChI=1S/C16H17ClFN/c1-11-4-3-5-13(8-11)12(2)19-10-14-9-15(17)6-7-16(14)18/h3-9,12,19H,10H2,1-2H3/t12-/m0/s1
InChIKeyHQWKNCKBNIJVIF-LBPRGKRZSA-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

N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115761361
(1R)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363606
4-fluoro-3-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 81360543
(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 104930243
(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363703
N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 114841425
(1S)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104979988
(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363727
1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 114842202
2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 103940649
(1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 28649455
(1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104979999

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine (CID 103991886) is (1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine is Cc1cccc([C@H](C)NCc2cc(Cl)ccc2F)c1.
What is the InChIKey of (1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is HQWKNCKBNIJVIF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11-4-3-5-13(8-11)12(2)19-10-14-9-15(17)6-7-16(14)18/h3-9,12,19H,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine?
(1S)-N-[(5-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 (1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 103991886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).