N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline

C24H27NO3 — CID 24807981

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(CCc2ccccc2NCc2cccc(OC)c2OC)c1
InChIInChI=1S/C24H27NO3/c1-26-21-11-6-8-18(16-21)14-15-19-9-4-5-12-22(19)25-17-20-10-7-13-23(27-2)24(20)28-3/h4-13,16,25H,14-15,17H2,1-3H3
InChIKeyDNMIEUYXHWQBLV-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.11
Rot. Bonds9

About N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline

N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline (PubChem CID 24807981) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline
PubChem CID24807981
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(CCc2ccccc2NCc2cccc(OC)c2OC)c1
InChIInChI=1S/C24H27NO3/c1-26-21-11-6-8-18(16-21)14-15-19-9-4-5-12-22(19)25-17-20-10-7-13-23(27-2)24(20)28-3/h4-13,16,25H,14-15,17H2,1-3H3
InChIKeyDNMIEUYXHWQBLV-UHFFFAOYSA-N
XLogP5.11
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]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

3,4-Dimethoxy-N-(4-methoxyphenyl)benzylamine
CID 784220
2-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-perimidine
CID 668463
(2,3-Dimethoxybenzyl)[4-(1-piperidinyl)phenyl]amine
CID 834331
2-(2,3-Dimethoxyphenyl)-1,3-diphenylimidazolidine
CID 1106964
(2,3-Dimethoxybenzyl)1,2,3,4-tetrahydronaphthalen-1-ylamine
CID 2850800
2-Methoxy-6-({[3-(trifluoromethyl)phenyl]amino}methyl)phenol
CID 3397882
N-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-1,2-diamine
CID 10337232
(2,3-Dimethoxybenzyl)(2-methoxy-5-methylphenyl)amine
CID 775256
(2-Methoxybenzyl)(4-methoxy-3-biphenylyl)amine
CID 784343
N,N'-(1,4-Phenylenedimethylidyne)DI-P-anisidine
CID 4294941
1-[2-(2-Methoxyphenyl)phenyl]piperazine
CID 18663036
3-(3-Ethoxy-4-methoxyphenyl)-3-[4-(methylamino)phenyl]prop-2-enenitrile
CID 70683081

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline (CID 24807981) is N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline is COc1cccc(CCc2ccccc2NCc2cccc(OC)c2OC)c1.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline?
The InChIKey is DNMIEUYXHWQBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-26-21-11-6-8-18(16-21)14-15-19-9-4-5-12-22(19)25-17-20-10-7-13-23(27-2)24(20)28-3/h4-13,16,25H,14-15,17H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline?
N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)ethyl]aniline has a molecular weight of 377.48 g/mol, XLogP of 5.11, 9 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-[2-(3-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 24807981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).