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

C17H19F2N — CID 107514100

IUPACN-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1ccc(-c2cccc(CNC(C)C)c2)c(F)c1F
InChIInChI=1S/C17H19F2N/c1-11(2)20-10-13-5-4-6-14(9-13)15-8-7-12(3)16(18)17(15)19/h4-9,11,20H,10H2,1-3H3
InChIKeySBAXRTIOEYFCIJ-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.44
Rot. Bonds4

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

N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine (PubChem CID 107514100) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
PubChem CID107514100
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC NameN-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1ccc(-c2cccc(CNC(C)C)c2)c(F)c1F
InChIInChI=1S/C17H19F2N/c1-11(2)20-10-13-5-4-6-14(9-13)15-8-7-12(3)16(18)17(15)19/h4-9,11,20H,10H2,1-3H3
InChIKeySBAXRTIOEYFCIJ-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732899
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 107514099
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502487
N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 107514165
N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine
CID 116545316
N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine
CID 105408477
N-[[3-(2,3-difluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408883
N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine
CID 63424152
1-[3-(2,3-difluoro-4-methylphenyl)phenyl]-N-methylethanamine
CID 107514088
N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 61034457
N-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine
CID 81447354
N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine
CID 62963734

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine (CID 107514100) is N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine is Cc1ccc(-c2cccc(CNC(C)C)c2)c(F)c1F.
What is the InChIKey of N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine?
The InChIKey is SBAXRTIOEYFCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-11(2)20-10-13-5-4-6-14(9-13)15-8-7-12(3)16(18)17(15)19/h4-9,11,20H,10H2,1-3H3.
What are the key properties of N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine?
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine has a molecular weight of 275.34 g/mol, XLogP of 4.44, 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]propan-2-amine is sourced from PubChem (CID 107514100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).