N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine

C17H19ClFN — CID 105395728

IUPACN-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)ccc1-c1cc(F)ccc1Cl
InChIInChI=1S/C17H19ClFN/c1-11(2)20-10-13-4-6-15(12(3)8-13)16-9-14(19)5-7-17(16)18/h4-9,11,20H,10H2,1-3H3
InChIKeyXIMYPHJXHITCBF-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.95
Rot. Bonds4

About N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine

N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine (PubChem CID 105395728) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine
PubChem CID105395728
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC NameN-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)ccc1-c1cc(F)ccc1Cl
InChIInChI=1S/C17H19ClFN/c1-11(2)20-10-13-4-6-15(12(3)8-13)16-9-14(19)5-7-17(16)18/h4-9,11,20H,10H2,1-3H3
InChIKeyXIMYPHJXHITCBF-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]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-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine
CID 115504916
N-[[3-(2,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61033377
N-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 79692007
N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66481228
N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66480830
1-[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66481802
N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408904
N-[[3-(2,4-dichlorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428074
N-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine
CID 115503587
N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552724
N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 107514165
N-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 107659648

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine (CID 105395728) is N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)ccc1-c1cc(F)ccc1Cl.
What is the InChIKey of N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine?
The InChIKey is XIMYPHJXHITCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-11(2)20-10-13-4-6-15(12(3)8-13)16-9-14(19)5-7-17(16)18/h4-9,11,20H,10H2,1-3H3.
What are the key properties of N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine?
N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine has a molecular weight of 291.80 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 105395728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).