4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline

C17H22N2O — CID 61418042

IUPAC4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline
SMILESCOc1cccc(CN(C)Cc2ccc(N)c(C)c2)c1
InChIInChI=1S/C17H22N2O/c1-13-9-15(7-8-17(13)18)12-19(2)11-14-5-4-6-16(10-14)20-3/h4-10H,11-12,18H2,1-3H3
InChIKeyNQYUDTXOLDVNJG-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.22
Rot. Bonds5

About 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline

4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline (PubChem CID 61418042) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline.

Molecular Properties

Compound Name4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline
PubChem CID61418042
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline
SMILESCOc1cccc(CN(C)Cc2ccc(N)c(C)c2)c1
InChIInChI=1S/C17H22N2O/c1-13-9-15(7-8-17(13)18)12-19(2)11-14-5-4-6-16(10-14)20-3/h4-10H,11-12,18H2,1-3H3
InChIKeyNQYUDTXOLDVNJG-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63578444
5-chloro-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]aniline
CID 62100733
3-bromo-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]aniline
CID 61420019
3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 81150368
N-[(2-deuterio-3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 101056991
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 62208653
5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62004359
[5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine
CID 62412644
N'-[(3-methoxyphenyl)methyl]-N'-methylbut-2-ene-1,4-diamine
CID 77110782
4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61412584
N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 171329064

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline?
The IUPAC name of 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline (CID 61418042) is 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline.
What is the SMILES notation for 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline?
The canonical SMILES for 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline is COc1cccc(CN(C)Cc2ccc(N)c(C)c2)c1.
What is the InChIKey of 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline?
The InChIKey is NQYUDTXOLDVNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-9-15(7-8-17(13)18)12-19(2)11-14-5-4-6-16(10-14)20-3/h4-10H,11-12,18H2,1-3H3.
What are the key properties of 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline?
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline has a molecular weight of 270.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline is sourced from PubChem (CID 61418042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).