(1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine

C17H19F2N — CID 115524148

IUPAC(1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@H](C)NCc1ccc(C(F)F)cc1
InChIInChI=1S/C17H19F2N/c1-12-5-3-4-6-16(12)13(2)20-11-14-7-9-15(10-8-14)17(18)19/h3-10,13,17,20H,11H2,1-2H3/t13-/m0/s1
InChIKeyLETMPJFYCOYVJU-ZDUSSCGKSA-N
MW275.34 g/mol
LogP4.78
Rot. Bonds5

About (1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine

(1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine (PubChem CID 115524148) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is (1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine
PubChem CID115524148
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name(1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@H](C)NCc1ccc(C(F)F)cc1
InChIInChI=1S/C17H19F2N/c1-12-5-3-4-6-16(12)13(2)20-11-14-7-9-15(10-8-14)17(18)19/h3-10,13,17,20H,11H2,1-2H3/t13-/m0/s1
InChIKeyLETMPJFYCOYVJU-ZDUSSCGKSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 81353811
4-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 28652871
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652647
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81373666
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 106816985
(1S)-N-[(3,4-dibromophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104865448
(1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 28556156
(1S)-1-(4-chlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115524132
(1R)-1-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 29053404
N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine
CID 115523981
(1S)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104928541
2-bromo-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenol
CID 81375588

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine (CID 115524148) is (1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1[C@H](C)NCc1ccc(C(F)F)cc1.
What is the InChIKey of (1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is LETMPJFYCOYVJU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19F2N/c1-12-5-3-4-6-16(12)13(2)20-11-14-7-9-15(10-8-14)17(18)19/h3-10,13,17,20H,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine?
(1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 275.34 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 115524148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).