[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine

C16H18F2N2 — CID 64769510

IUPAC[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
SMILESCN(Cc1ccc(F)cc1)Cc1cc(F)ccc1CN
InChIInChI=1S/C16H18F2N2/c1-20(10-12-2-5-15(17)6-3-12)11-14-8-16(18)7-4-13(14)9-19/h2-8H,9-11,19H2,1H3
InChIKeySMXDXNJXOVEABA-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.06
Rot. Bonds5

About [4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine

[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine (PubChem CID 64769510) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is [4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
PubChem CID64769510
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
SMILESCN(Cc1ccc(F)cc1)Cc1cc(F)ccc1CN
InChIInChI=1S/C16H18F2N2/c1-20(10-12-2-5-15(17)6-3-12)11-14-8-16(18)7-4-13(14)9-19/h2-8H,9-11,19H2,1H3
InChIKeySMXDXNJXOVEABA-UHFFFAOYSA-N
XLogP3.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]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

Related Compounds

[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64770076
[4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 64770261
[4-fluoro-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769897
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline
CID 61414831
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 64768719
N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
CID 115225832
[4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine
CID 64768539
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N-methylacetamide
CID 64769499
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide
CID 64770089
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 61414753
[2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine
CID 63289452

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine (CID 64769510) is [4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine is CN(Cc1ccc(F)cc1)Cc1cc(F)ccc1CN.
What is the InChIKey of [4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine?
The InChIKey is SMXDXNJXOVEABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-20(10-12-2-5-15(17)6-3-12)11-14-8-16(18)7-4-13(14)9-19/h2-8H,9-11,19H2,1H3.
What are the key properties of [4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine?
[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine has a molecular weight of 276.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine is sourced from PubChem (CID 64769510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).