N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-methylaniline

C17H21NO — CID 784349

IUPACN-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-methylaniline
SMILESCOc1cc(C)c(CNc2cccc(C)c2)cc1C
InChIInChI=1S/C17H21NO/c1-12-6-5-7-16(8-12)18-11-15-9-14(3)17(19-4)10-13(15)2/h5-10,18H,11H2,1-4H3
InChIKeyLULHVGICRDFCII-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.23
Rot. Bonds4

About N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-methylaniline

N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-methylaniline (PubChem CID 784349) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-methylaniline.

Molecular Properties

Compound NameN-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-methylaniline
PubChem CID784349
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-methylaniline
SMILESCOc1cc(C)c(CNc2cccc(C)c2)cc1C
InChIInChI=1S/C17H21NO/c1-12-6-5-7-16(8-12)18-11-15-9-14(3)17(19-4)10-13(15)2/h5-10,18H,11H2,1-4H3
InChIKeyLULHVGICRDFCII-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-methylaniline 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

S24773
CID 22133318
N-(4-Methoxybenzyl)aniline
CID 408377
1-(7-Methoxynaphthalen-2-yl)piperazine
CID 44351692
1-((4-Methoxyanilino)methyl)-2-naphthol
CID 240945
N-[2-(3-(3-Methylaminophenyl)-7-methoxynaphth-1-yl)ethyl]acetamide
CID 44579115
N-[2-(3-(3-Dimethylaminophenyl)-7-methoxynaphth-1-yl)ethyl]acetamide
CID 44579163
(3,4-Dimethyl-phenyl)-(4-methoxy-benzyl)-amine
CID 775241
(3-Fluorophenyl)[2-(4-methoxyphenyl)-1-methylethyl]amine
CID 2848284
2-Cyano-3-(5-isopropyl-4-methoxy-2-methyl-phenyl)-N-m-tolyl-acrylamide
CID 701044
N-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-1,2-diamine
CID 10337232
(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-[2-(4-phenyl-piperazin-1-yl)-ethyl]-amine
CID 10785980
(2-Methoxybenzyl)(4-methoxy-3-biphenylyl)amine
CID 784343

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-methylaniline?
The IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-methylaniline (CID 784349) is N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-methylaniline.
What is the SMILES notation for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-methylaniline?
The canonical SMILES for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-methylaniline is COc1cc(C)c(CNc2cccc(C)c2)cc1C.
What is the InChIKey of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-methylaniline?
The InChIKey is LULHVGICRDFCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-6-5-7-16(8-12)18-11-15-9-14(3)17(19-4)10-13(15)2/h5-10,18H,11H2,1-4H3.
What are the key properties of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-methylaniline?
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-methylaniline has a molecular weight of 255.36 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-methylaniline is sourced from PubChem (CID 784349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).