N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline

C17H22N2O — CID 62018742

IUPACN-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline
SMILESCOc1ccc(CN)cc1CN(C)c1ccc(C)cc1
InChIInChI=1S/C17H22N2O/c1-13-4-7-16(8-5-13)19(2)12-15-10-14(11-18)6-9-17(15)20-3/h4-10H,11-12,18H2,1-3H3
InChIKeyGSYMWWHKQZAAIK-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.10
Rot. Bonds5

About N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline

N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline (PubChem CID 62018742) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline
PubChem CID62018742
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline
SMILESCOc1ccc(CN)cc1CN(C)c1ccc(C)cc1
InChIInChI=1S/C17H22N2O/c1-13-4-7-16(8-5-13)19(2)12-15-10-14(11-18)6-9-17(15)20-3/h4-10H,11-12,18H2,1-3H3
InChIKeyGSYMWWHKQZAAIK-UHFFFAOYSA-N
XLogP3.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline
CID 62018373
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399
[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 65341080
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline
CID 62018180
4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline
CID 43275566
[4-methoxy-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018363
[4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018364
4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide
CID 62970325
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline
CID 106785440
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline
CID 62971006
2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol
CID 113425969
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 62019115

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline?
The IUPAC name of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline (CID 62018742) is N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline.
What is the SMILES notation for N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline?
The canonical SMILES for N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline is COc1ccc(CN)cc1CN(C)c1ccc(C)cc1.
What is the InChIKey of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline?
The InChIKey is GSYMWWHKQZAAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-4-7-16(8-5-13)19(2)12-15-10-14(11-18)6-9-17(15)20-3/h4-10H,11-12,18H2,1-3H3.
What are the key properties of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline?
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline has a molecular weight of 270.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline is sourced from PubChem (CID 62018742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).