[4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine

C17H21FN2O — CID 106785236

IUPAC[4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
SMILESCOc1cc(CN(C)Cc2ccccc2F)ccc1CN
InChIInChI=1S/C17H21FN2O/c1-20(12-15-5-3-4-6-16(15)18)11-13-7-8-14(10-19)17(9-13)21-2/h3-9H,10-12,19H2,1-2H3
InChIKeyXZAOSCZLTNDNHP-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.92
Rot. Bonds6

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

[4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine (PubChem CID 106785236) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is [4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
PubChem CID106785236
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name[4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
SMILESCOc1cc(CN(C)Cc2ccccc2F)ccc1CN
InChIInChI=1S/C17H21FN2O/c1-20(12-15-5-3-4-6-16(15)18)11-13-7-8-14(10-19)17(9-13)21-2/h3-9H,10-12,19H2,1-2H3
InChIKeyXZAOSCZLTNDNHP-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-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785291
4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
CID 106788061
[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64770076
[4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785290
[2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine
CID 106785650
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
CID 65344353
2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline
CID 63188598
[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886
4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61412584
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61412798
[4-fluoro-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769897
2-[2-(aminomethyl)phenoxy]-N-[(2-fluorophenyl)methyl]-N-methylethanamine
CID 43575739

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine?
The IUPAC name of [4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine (CID 106785236) is [4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine.
What is the SMILES notation for [4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine?
The canonical SMILES for [4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine is COc1cc(CN(C)Cc2ccccc2F)ccc1CN.
What is the InChIKey of [4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine?
The InChIKey is XZAOSCZLTNDNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-20(12-15-5-3-4-6-16(15)18)11-13-7-8-14(10-19)17(9-13)21-2/h3-9H,10-12,19H2,1-2H3.
What are the key properties of [4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine?
[4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]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-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine is sourced from PubChem (CID 106785236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).