[3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine

C17H21FN2 — CID 61414070

IUPAC[3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
SMILESCc1cccc(CN(C)Cc2ccc(CN)cc2F)c1
InChIInChI=1S/C17H21FN2/c1-13-4-3-5-15(8-13)11-20(2)12-16-7-6-14(10-19)9-17(16)18/h3-9H,10-12,19H2,1-2H3
InChIKeyLXTFFAHERRWMSZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.22
Rot. Bonds5

About [3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine

[3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine (PubChem CID 61414070) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is [3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
PubChem CID61414070
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name[3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
SMILESCc1cccc(CN(C)Cc2ccc(CN)cc2F)c1
InChIInChI=1S/C17H21FN2/c1-13-4-3-5-15(8-13)11-20(2)12-16-7-6-14(10-19)9-17(16)18/h3-9H,10-12,19H2,1-2H3
InChIKeyLXTFFAHERRWMSZ-UHFFFAOYSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine?
The IUPAC name of [3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine (CID 61414070) is [3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine is Cc1cccc(CN(C)Cc2ccc(CN)cc2F)c1.
What is the InChIKey of [3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine?
The InChIKey is LXTFFAHERRWMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-13-4-3-5-15(8-13)11-20(2)12-16-7-6-14(10-19)9-17(16)18/h3-9H,10-12,19H2,1-2H3.
What are the key properties of [3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine?
[3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine has a molecular weight of 272.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine is sourced from PubChem (CID 61414070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).