1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine

C17H22N2O — CID 174192701

IUPAC1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(CNCc2ccccc2OC)c1
InChIInChI=1S/C17H22N2O/c1-18-11-14-6-5-7-15(10-14)12-19-13-16-8-3-4-9-17(16)20-2/h3-10,18-19H,11-13H2,1-2H3
InChIKeyRFIOJTKBAHEGJZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.70
Rot. Bonds7

About 1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine

1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine (PubChem CID 174192701) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine
PubChem CID174192701
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(CNCc2ccccc2OC)c1
InChIInChI=1S/C17H22N2O/c1-18-11-14-6-5-7-15(10-14)12-19-13-16-8-3-4-9-17(16)20-2/h3-10,18-19H,11-13H2,1-2H3
InChIKeyRFIOJTKBAHEGJZ-UHFFFAOYSA-N
XLogP2.70
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 119107449
1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine
CID 66347822
1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid
CID 17365854
N-[(2-methoxyphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60760659
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17292771
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208191
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208300
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
CID 17208366
N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
CID 14914753
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine
CID 61400743

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine (CID 174192701) is 1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine is CNCc1cccc(CNCc2ccccc2OC)c1.
What is the InChIKey of 1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine?
The InChIKey is RFIOJTKBAHEGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18-11-14-6-5-7-15(10-14)12-19-13-16-8-3-4-9-17(16)20-2/h3-10,18-19H,11-13H2,1-2H3.
What are the key properties of 1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine?
1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine has a molecular weight of 270.38 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 174192701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).