3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline

C17H21NO2 — CID 43672260

IUPAC3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline
SMILESCOCc1cccc(NCc2cc(C)ccc2OC)c1
InChIInChI=1S/C17H21NO2/c1-13-7-8-17(20-3)15(9-13)11-18-16-6-4-5-14(10-16)12-19-2/h4-10,18H,11-12H2,1-3H3
InChIKeyLAIFCBRBCPNVJO-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.76
Rot. Bonds6

About 3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline

3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline (PubChem CID 43672260) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline
PubChem CID43672260
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline
SMILESCOCc1cccc(NCc2cc(C)ccc2OC)c1
InChIInChI=1S/C17H21NO2/c1-13-7-8-17(20-3)15(9-13)11-18-16-6-4-5-14(10-16)12-19-2/h4-10,18H,11-12H2,1-3H3
InChIKeyLAIFCBRBCPNVJO-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408545
3-[(2-methoxy-5-methylphenyl)methylamino]benzonitrile
CID 43408626
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline
CID 104854025
4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408473
4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol
CID 43672155
3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline
CID 107582097
4-[(2-methoxy-5-methylphenyl)methylamino]benzamide
CID 43408573
2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol
CID 107677911
N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672072
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 61075554

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The IUPAC name of 3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline (CID 43672260) is 3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline.
What is the SMILES notation for 3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The canonical SMILES for 3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline is COCc1cccc(NCc2cc(C)ccc2OC)c1.
What is the InChIKey of 3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The InChIKey is LAIFCBRBCPNVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-7-8-17(20-3)15(9-13)11-18-16-6-4-5-14(10-16)12-19-2/h4-10,18H,11-12H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline has a molecular weight of 271.36 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline is sourced from PubChem (CID 43672260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).