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

C17H20FN — CID 54911501

IUPACN-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1ccc(F)c(-c2ccc(CNC(C)C)cc2)c1
InChIInChI=1S/C17H20FN/c1-12(2)19-11-14-5-7-15(8-6-14)16-10-13(3)4-9-17(16)18/h4-10,12,19H,11H2,1-3H3
InChIKeyXZRZENMDHNNUGI-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.30
Rot. Bonds4

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

N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine (PubChem CID 54911501) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
PubChem CID54911501
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1ccc(F)c(-c2ccc(CNC(C)C)cc2)c1
InChIInChI=1S/C17H20FN/c1-12(2)19-11-14-5-7-15(8-6-14)16-10-13(3)4-9-17(16)18/h4-10,12,19H,11H2,1-3H3
InChIKeyXZRZENMDHNNUGI-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[4-(2-fluoro-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-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732388
N-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine
CID 63424500
N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 54911620
N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61026035
[4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride
CID 168665262
1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine
CID 54911637
N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428027
N-[[3-(2,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61033377
N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine
CID 106882253
N-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine
CID 115504916
N-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine
CID 66160680

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine (CID 54911501) is N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine is Cc1ccc(F)c(-c2ccc(CNC(C)C)cc2)c1.
What is the InChIKey of N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine?
The InChIKey is XZRZENMDHNNUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-12(2)19-11-14-5-7-15(8-6-14)16-10-13(3)4-9-17(16)18/h4-10,12,19H,11H2,1-3H3.
What are the key properties of N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine?
N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine has a molecular weight of 257.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 54911501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).