1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine

C17H20FNO2 — CID 115967968

IUPAC1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2cc(F)ccc2C)c(OC)c1
InChIInChI=1S/C17H20FNO2/c1-12-4-6-15(18)8-14(12)11-19-10-13-5-7-16(20-2)9-17(13)21-3/h4-9,19H,10-11H2,1-3H3
InChIKeyHLZWRDQMHHIVRB-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.44
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine

1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine (PubChem CID 115967968) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
PubChem CID115967968
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2cc(F)ccc2C)c(OC)c1
InChIInChI=1S/C17H20FNO2/c1-12-4-6-15(18)8-14(12)11-19-10-13-5-7-16(20-2)9-17(13)21-3/h4-9,19H,10-11H2,1-3H3
InChIKeyHLZWRDQMHHIVRB-UHFFFAOYSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxy-4-methylphenyl)methanamine
CID 122598505
N-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 115967848
1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318862
2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 73211515
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropropan-1-amine
CID 81105409
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
1-(2,4-dimethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47020695
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 107633034
N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215620

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine (CID 115967968) is 1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine is COc1ccc(CNCc2cc(F)ccc2C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine?
The InChIKey is HLZWRDQMHHIVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12-4-6-15(18)8-14(12)11-19-10-13-5-7-16(20-2)9-17(13)21-3/h4-9,19H,10-11H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine?
1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine has a molecular weight of 289.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine is sourced from PubChem (CID 115967968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).