N-[(3-methoxyphenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline

C17H22N2O — CID 61417843

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline
SMILESCNCc1ccccc1N(C)Cc1cccc(OC)c1
InChIInChI=1S/C17H22N2O/c1-18-12-15-8-4-5-10-17(15)19(2)13-14-7-6-9-16(11-14)20-3/h4-11,18H,12-13H2,1-3H3
InChIKeyQWTRLWNVQVXZIX-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.05
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline

N-[(3-methoxyphenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline (PubChem CID 61417843) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline
PubChem CID61417843
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline
SMILESCNCc1ccccc1N(C)Cc1cccc(OC)c1
InChIInChI=1S/C17H22N2O/c1-18-12-15-8-4-5-10-17(15)19(2)13-14-7-6-9-16(11-14)20-3/h4-11,18H,12-13H2,1-3H3
InChIKeyQWTRLWNVQVXZIX-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
CID 61411671
methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate
CID 60694372
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
(1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol
CID 103959837
N-methyl-3-(methylaminomethyl)-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 81246986
2-bromo-6-[(3-methoxyphenyl)methyl-methylamino]benzonitrile
CID 114880703
5-chloro-2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 114846461
1-[2-[(3-methoxyphenoxy)methyl]phenyl]-N-methylmethanamine
CID 62453866
N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 43313736
1-[3-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 60889550
4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 115468715

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline (CID 61417843) is N-[(3-methoxyphenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline is CNCc1ccccc1N(C)Cc1cccc(OC)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline?
The InChIKey is QWTRLWNVQVXZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18-12-15-8-4-5-10-17(15)19(2)13-14-7-6-9-16(11-14)20-3/h4-11,18H,12-13H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline?
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline has a molecular weight of 270.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline is sourced from PubChem (CID 61417843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).