(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine

C16H17F2N — CID 105403222

IUPAC(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@@H](C)NCc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H17F2N/c1-11-3-5-14(6-4-11)12(2)19-10-13-7-15(17)9-16(18)8-13/h3-9,12,19H,10H2,1-2H3/t12-/m1/s1
InChIKeyRYODORLZMCXBTI-GFCCVEGCSA-N
MW261.31 g/mol
LogP4.12
Rot. Bonds4

About (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine

(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 105403222) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID105403222
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@@H](C)NCc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H17F2N/c1-11-3-5-14(6-4-11)12(2)19-10-13-7-15(17)9-16(18)8-13/h3-9,12,19H,10H2,1-2H3/t12-/m1/s1
InChIKeyRYODORLZMCXBTI-GFCCVEGCSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 96938323
N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79710852
1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 115623666
(1R)-N-[(3-fluoro-5-nitrophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 103954457
2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81349588
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348826
(1S)-N-[(4-chloro-3-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81357069
(1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 28622798
N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 79710098
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
[4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol
CID 107230241
(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669648

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine (CID 105403222) is (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine is Cc1ccc([C@@H](C)NCc2cc(F)cc(F)c2)cc1.
What is the InChIKey of (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is RYODORLZMCXBTI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11-3-5-14(6-4-11)12(2)19-10-13-7-15(17)9-16(18)8-13/h3-9,12,19H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine?
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 261.31 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 105403222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).