1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine

C16H17Cl2NO2 — CID 4719426

IUPAC1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1
InChIInChI=1S/C16H17Cl2NO2/c1-19-9-11-4-6-15(16(8-11)20-2)21-10-12-3-5-13(17)14(18)7-12/h3-8,19H,9-10H2,1-2H3
InChIKeySOQWVEZWTBTJBR-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.30
Rot. Bonds6

About 1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine

1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine (PubChem CID 4719426) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
PubChem CID4719426
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1
InChIInChI=1S/C16H17Cl2NO2/c1-19-9-11-4-6-15(16(8-11)20-2)21-10-12-3-5-13(17)14(18)7-12/h3-8,19H,9-10H2,1-2H3
InChIKeySOQWVEZWTBTJBR-UHFFFAOYSA-N
XLogP4.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine 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

N'-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine
CID 4722426
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332699
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
CID 4719319
2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol
CID 4719844
1-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
CID 4719391
2-(4-chlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17208614
2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 4719355
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-ethoxypropan-1-amine
CID 4719413
1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 4719377
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869
4-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-methyl-1H-1,2,4-triazole-5-thione
CID 4725577
1-[3-[(2,5-dichlorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
CID 65318650

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine (CID 4719426) is 1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine is CNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1.
What is the InChIKey of 1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine?
The InChIKey is SOQWVEZWTBTJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-19-9-11-4-6-15(16(8-11)20-2)21-10-12-3-5-13(17)14(18)7-12/h3-8,19H,9-10H2,1-2H3.
What are the key properties of 1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine?
1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine has a molecular weight of 326.22 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 4719426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).