1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine

C16H17F2NO2 — CID 792126

IUPAC1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(CNCc2ccc(F)c(F)c2)cc(OC)c1
InChIInChI=1S/C16H17F2NO2/c1-20-13-5-12(6-14(8-13)21-2)10-19-9-11-3-4-15(17)16(18)7-11/h3-8,19H,9-10H2,1-2H3
InChIKeyBYIJGCICTITMNK-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.27
Rot. Bonds6

About 1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine

1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine (PubChem CID 792126) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine
PubChem CID792126
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(CNCc2ccc(F)c(F)c2)cc(OC)c1
InChIInChI=1S/C16H17F2NO2/c1-20-13-5-12(6-14(8-13)21-2)10-19-9-11-3-4-15(17)16(18)7-11/h3-8,19H,9-10H2,1-2H3
InChIKeyBYIJGCICTITMNK-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine with MolForge

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Related Compounds

1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451224
1-[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451225
N-[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methyl]-1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methanamine
CID 101451223
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 738585
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine
CID 28678045
1-(3,4-dimethoxyphenyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 119113161
[2-fluoro-5-[[(4-methoxyphenyl)methylamino]methyl]phenyl]boronic acid
CID 91800509
1-(1,3-benzodioxol-5-yl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine
CID 775446
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371436

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine (CID 792126) is 1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine is COc1cc(CNCc2ccc(F)c(F)c2)cc(OC)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine?
The InChIKey is BYIJGCICTITMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-20-13-5-12(6-14(8-13)21-2)10-19-9-11-3-4-15(17)16(18)7-11/h3-8,19H,9-10H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine?
1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine has a molecular weight of 293.31 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 792126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).