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

C17H19F2NO — CID 28661741

IUPAC(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)NCc2ccccc2OC(F)F)cc1
InChIInChI=1S/C17H19F2NO/c1-12-7-9-14(10-8-12)13(2)20-11-15-5-3-4-6-16(15)21-17(18)19/h3-10,13,17,20H,11H2,1-2H3/t13-/m0/s1
InChIKeyDIPAYZMKAHKEIC-ZDUSSCGKSA-N
MW291.34 g/mol
LogP4.45
Rot. Bonds6

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

(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 28661741) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is (1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine
PubChem CID28661741
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)NCc2ccccc2OC(F)F)cc1
InChIInChI=1S/C17H19F2NO/c1-12-7-9-14(10-8-12)13(2)20-11-15-5-3-4-6-16(15)21-17(18)19/h3-10,13,17,20H,11H2,1-2H3/t13-/m0/s1
InChIKeyDIPAYZMKAHKEIC-ZDUSSCGKSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-fluorophenyl)ethanamine
CID 28661843
(1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 29281708
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 43221556
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 17054239
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43098513
N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 29272296
(1R)-1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 81348504
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60944396
1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78950239
2-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945962
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115708122

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine (CID 28661741) is (1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine is Cc1ccc([C@H](C)NCc2ccccc2OC(F)F)cc1.
What is the InChIKey of (1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is DIPAYZMKAHKEIC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-12-7-9-14(10-8-12)13(2)20-11-15-5-3-4-6-16(15)21-17(18)19/h3-10,13,17,20H,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine?
(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 291.34 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 28661741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).