N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine

C17H19F2N — CID 79732388

IUPACN-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1cc(-c2ccc(CNC(C)C)cc2)c(F)cc1F
InChIInChI=1S/C17H19F2N/c1-11(2)20-10-13-4-6-14(7-5-13)15-8-12(3)16(18)9-17(15)19/h4-9,11,20H,10H2,1-3H3
InChIKeyQZVUAASEMQXKPN-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.44
Rot. Bonds4

About N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine

N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine (PubChem CID 79732388) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
PubChem CID79732388
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC NameN-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1cc(-c2ccc(CNC(C)C)cc2)c(F)cc1F
InChIInChI=1S/C17H19F2N/c1-11(2)20-10-13-4-6-14(7-5-13)15-8-12(3)16(18)9-17(15)19/h4-9,11,20H,10H2,1-3H3
InChIKeyQZVUAASEMQXKPN-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

Analyze N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine 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-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]propan-2-amine
CID 115503150
N-[[3-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732899
N-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105410097
N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 54911501
N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 54911620
N-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine
CID 63424500
N-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine
CID 115504916
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502487
N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66480830
N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61026035
N-[[4-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine
CID 106646381
N-[[3-(2-fluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408608

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine (CID 79732388) is N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine is Cc1cc(-c2ccc(CNC(C)C)cc2)c(F)cc1F.
What is the InChIKey of N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine?
The InChIKey is QZVUAASEMQXKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-11(2)20-10-13-4-6-14(7-5-13)15-8-12(3)16(18)9-17(15)19/h4-9,11,20H,10H2,1-3H3.
What are the key properties of N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine?
N-[[4-(2,4-difluoro-5-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-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 79732388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).