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

C17H21NO3 — CID 775256

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1NCc1cccc(OC)c1OC
InChIInChI=1S/C17H21NO3/c1-12-8-9-15(19-2)14(10-12)18-11-13-6-5-7-16(20-3)17(13)21-4/h5-10,18H,11H2,1-4H3
InChIKeyLFLKZNKGJNABER-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.63
Rot. Bonds6

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

N-[(2,3-dimethoxyphenyl)methyl]-2-methoxy-5-methylaniline (PubChem CID 775256) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-methoxy-5-methylaniline.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-methoxy-5-methylaniline
PubChem CID775256
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1NCc1cccc(OC)c1OC
InChIInChI=1S/C17H21NO3/c1-12-8-9-15(19-2)14(10-12)18-11-13-6-5-7-16(20-3)17(13)21-4/h5-10,18H,11H2,1-4H3
InChIKeyLFLKZNKGJNABER-UHFFFAOYSA-N
XLogP3.63
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_D(2)', 'substructure': 'N/A'}

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Related Compounds

3,4-Dimethoxy-N-(4-methoxyphenyl)benzylamine
CID 784220
(2,3-Dimethoxybenzyl)[4-(1-piperidinyl)phenyl]amine
CID 834331
2-Methoxy-6-({[3-(trifluoromethyl)phenyl]amino}methyl)phenol
CID 3397882
(2-Methoxybenzyl)(4-methoxy-3-biphenylyl)amine
CID 784343
2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521859
N-[1-(2,3-dimethoxyphenyl)but-3-enyl]aniline
CID 2772097
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyphenyl)thiourea
CID 706965
(2,5-Dimethylphenyl)(3,4,5-trimethoxybenzyl)amine
CID 772849
2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 775226
2,3-dihydro-1H-inden-5-yl(3,4-dimethoxybenzyl)amine
CID 784312
(3,4-Dimethoxybenzyl)(4-methoxy-3-biphenylyl)amine
CID 784392
1-[(2,3-Dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792522

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-methoxy-5-methylaniline?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-methoxy-5-methylaniline (CID 775256) is N-[(2,3-dimethoxyphenyl)methyl]-2-methoxy-5-methylaniline.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-methoxy-5-methylaniline?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-methoxy-5-methylaniline is COc1ccc(C)cc1NCc1cccc(OC)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-methoxy-5-methylaniline?
The InChIKey is LFLKZNKGJNABER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12-8-9-15(19-2)14(10-12)18-11-13-6-5-7-16(20-3)17(13)21-4/h5-10,18H,11H2,1-4H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-methoxy-5-methylaniline?
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxy-5-methylaniline has a molecular weight of 287.36 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-methoxy-5-methylaniline is sourced from PubChem (CID 775256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).