N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine

C16H17F2N — CID 107514099

IUPACN-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(-c2ccc(C)c(F)c2F)c1
InChIInChI=1S/C16H17F2N/c1-3-19-10-12-5-4-6-13(9-12)14-8-7-11(2)15(17)16(14)18/h4-9,19H,3,10H2,1-2H3
InChIKeyPZXQHBHXDDVDSU-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.05
Rot. Bonds4

About N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine

N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine (PubChem CID 107514099) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine
PubChem CID107514099
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC NameN-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(-c2ccc(C)c(F)c2F)c1
InChIInChI=1S/C16H17F2N/c1-3-19-10-12-5-4-6-13(9-12)14-8-7-11(2)15(17)16(14)18/h4-9,19H,3,10H2,1-2H3
InChIKeyPZXQHBHXDDVDSU-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]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

N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine
CID 62963734
N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine
CID 63989003
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 107514100
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 113324415
N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine
CID 81447039
N-[[3-(3,5-difluorophenyl)phenyl]methyl]ethanamine
CID 54911880
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 105408643
N-[[4-(3-chlorophenyl)-3-fluorophenyl]methyl]ethanamine
CID 81447435
N-[[3-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 54911742
N-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine
CID 79601644
N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine
CID 63424448

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine (CID 107514099) is N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine is CCNCc1cccc(-c2ccc(C)c(F)c2F)c1.
What is the InChIKey of N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine?
The InChIKey is PZXQHBHXDDVDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-3-19-10-12-5-4-6-13(9-12)14-8-7-11(2)15(17)16(14)18/h4-9,19H,3,10H2,1-2H3.
What are the key properties of N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine?
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine has a molecular weight of 261.31 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 107514099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).