[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine

C17H22N2O — CID 65340886

IUPAC[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
SMILESCOc1ccc(CN(C)Cc2ccccc2)cc1CN
InChIInChI=1S/C17H22N2O/c1-19(12-14-6-4-3-5-7-14)13-15-8-9-17(20-2)16(10-15)11-18/h3-10H,11-13,18H2,1-2H3
InChIKeyMHYKIHBCZBAVOT-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.79
Rot. Bonds6

About [5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine

[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine (PubChem CID 65340886) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
PubChem CID65340886
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
SMILESCOc1ccc(CN(C)Cc2ccccc2)cc1CN
InChIInChI=1S/C17H22N2O/c1-19(12-14-6-4-3-5-7-14)13-15-8-9-17(20-2)16(10-15)11-18/h3-10H,11-13,18H2,1-2H3
InChIKeyMHYKIHBCZBAVOT-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 65341080
[3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol
CID 62019327
[4-methoxy-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018363
3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline
CID 43247150
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine
CID 65340742
[4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018364
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81058780
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65338383
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
[5-(benzylsulfinylmethyl)-2-methoxyphenyl]methanamine
CID 81329220
[5-(benzylsulfonylmethyl)-2-methoxyphenyl]methanamine
CID 65343819
[4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785290

Frequently Asked Questions

What is the IUPAC name of [5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine?
The IUPAC name of [5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine (CID 65340886) is [5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine.
What is the SMILES notation for [5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine?
The canonical SMILES for [5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine is COc1ccc(CN(C)Cc2ccccc2)cc1CN.
What is the InChIKey of [5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine?
The InChIKey is MHYKIHBCZBAVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(12-14-6-4-3-5-7-14)13-15-8-9-17(20-2)16(10-15)11-18/h3-10H,11-13,18H2,1-2H3.
What are the key properties of [5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine?
[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine is sourced from PubChem (CID 65340886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).