N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline

C17H22N2O2 — CID 62018180

IUPACN-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline
SMILESCOc1ccc(CN)cc1CN(C)c1ccccc1OC
InChIInChI=1S/C17H22N2O2/c1-19(15-6-4-5-7-17(15)21-3)12-14-10-13(11-18)8-9-16(14)20-2/h4-10H,11-12,18H2,1-3H3
InChIKeyUVIKJSMSUMIWKY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.80
Rot. Bonds6

About N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline

N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline (PubChem CID 62018180) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline
PubChem CID62018180
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline
SMILESCOc1ccc(CN)cc1CN(C)c1ccccc1OC
InChIInChI=1S/C17H22N2O2/c1-19(15-6-4-5-7-17(15)21-3)12-14-10-13(11-18)8-9-16(14)20-2/h4-10H,11-12,18H2,1-3H3
InChIKeyUVIKJSMSUMIWKY-UHFFFAOYSA-N
XLogP2.80
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline
CID 107113327
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline
CID 62018742
[4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018364
N-[[2-(aminomethyl)furan-3-yl]methyl]-2-methoxy-N-methylaniline
CID 62428788
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-fluoroaniline
CID 62019121
5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline
CID 115414026
[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886
[4-methoxy-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018363
4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol
CID 82978276
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]-2-methoxy-N-methylaniline?
The IUPAC name of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline (CID 62018180) is N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline.
What is the SMILES notation for N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline?
The canonical SMILES for N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline is COc1ccc(CN)cc1CN(C)c1ccccc1OC.
What is the InChIKey of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline?
The InChIKey is UVIKJSMSUMIWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19(15-6-4-5-7-17(15)21-3)12-14-10-13(11-18)8-9-16(14)20-2/h4-10H,11-12,18H2,1-3H3.
What are the key properties of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline?
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline has a molecular weight of 286.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline is sourced from PubChem (CID 62018180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).