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

C16H17ClFN — CID 104979999

IUPAC(1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCc1cc(Cl)ccc1F
InChIInChI=1S/C16H17ClFN/c1-11-5-3-4-6-15(11)12(2)19-10-13-9-14(17)7-8-16(13)18/h3-9,12,19H,10H2,1-2H3/t12-/m1/s1
InChIKeyMNDUPTAAOAXTAU-GFCCVEGCSA-N
MW277.77 g/mol
LogP4.64
Rot. Bonds4

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

(1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine (PubChem CID 104979999) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is (1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
PubChem CID104979999
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name(1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCc1cc(Cl)ccc1F
InChIInChI=1S/C16H17ClFN/c1-11-5-3-4-6-15(11)12(2)19-10-13-9-14(17)7-8-16(13)18/h3-9,12,19H,10H2,1-2H3/t12-/m1/s1
InChIKeyMNDUPTAAOAXTAU-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

4-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]phenol
CID 43203245
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652647
(1R)-N-[(4-chloro-2-nitrophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81364114
N-[(4-chloro-2-nitrophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 62101267
(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375118
(1S)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104928541
(1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 104980004
(1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 103991886
(1R)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103880955
(1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103880970
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115761361
N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 143626004

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine (CID 104979999) is (1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1[C@@H](C)NCc1cc(Cl)ccc1F.
What is the InChIKey of (1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is MNDUPTAAOAXTAU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11-5-3-4-6-15(11)12(2)19-10-13-9-14(17)7-8-16(13)18/h3-9,12,19H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine?
(1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-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-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 104979999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).