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

C17H21FN2O — CID 64770076

IUPAC[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
SMILESCOc1ccccc1CN(C)Cc1cc(F)ccc1CN
InChIInChI=1S/C17H21FN2O/c1-20(11-14-5-3-4-6-17(14)21-2)12-15-9-16(18)8-7-13(15)10-19/h3-9H,10-12,19H2,1-2H3
InChIKeyJGSLVUYPMUOKTQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.92
Rot. Bonds6

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

[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine (PubChem CID 64770076) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is [4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
PubChem CID64770076
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
SMILESCOc1ccccc1CN(C)Cc1cc(F)ccc1CN
InChIInChI=1S/C17H21FN2O/c1-20(11-14-5-3-4-6-17(14)21-2)12-15-9-16(18)8-7-13(15)10-19/h3-9H,10-12,19H2,1-2H3
InChIKeyJGSLVUYPMUOKTQ-UHFFFAOYSA-N
XLogP2.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-fluoro-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769897
[4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785236
[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769510
[2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 60921813
4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline
CID 115366747
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785291
[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886
4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol
CID 61419975
2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline
CID 61420544
[4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018364
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]ethanethiol
CID 115224056

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine (CID 64770076) is [4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine is COc1ccccc1CN(C)Cc1cc(F)ccc1CN.
What is the InChIKey of [4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine?
The InChIKey is JGSLVUYPMUOKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-20(11-14-5-3-4-6-17(14)21-2)12-15-9-16(18)8-7-13(15)10-19/h3-9H,10-12,19H2,1-2H3.
What are the key properties of [4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine?
[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine has a molecular weight of 288.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine is sourced from PubChem (CID 64770076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).