1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine

C16H18ClNO — CID 44562943

IUPAC1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1Oc1ccc(C)c(C)c1
InChIInChI=1S/C16H18ClNO/c1-11-4-7-15(8-12(11)2)19-16-9-14(17)6-5-13(16)10-18-3/h4-9,18H,10H2,1-3H3
InChIKeyRJGZDIPTAGBJQV-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.47
Rot. Bonds4

About 1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine

1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine (PubChem CID 44562943) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine
PubChem CID44562943
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1Oc1ccc(C)c(C)c1
InChIInChI=1S/C16H18ClNO/c1-11-4-7-15(8-12(11)2)19-16-9-14(17)6-5-13(16)10-18-3/h4-9,18H,10H2,1-3H3
InChIKeyRJGZDIPTAGBJQV-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-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

4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene
CID 114846964
1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 44562614
1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855627
[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol
CID 114856813
1-[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114857626
1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine
CID 114856068
1-[4-(5-chloro-2-nitrophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 62303997
1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855010
1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 126796314
1-[4-(4-chloro-2-nitrophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 62130681
1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 55222155
1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 63879873

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine (CID 44562943) is 1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine is CNCc1ccc(Cl)cc1Oc1ccc(C)c(C)c1.
What is the InChIKey of 1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine?
The InChIKey is RJGZDIPTAGBJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-4-7-15(8-12(11)2)19-16-9-14(17)6-5-13(16)10-18-3/h4-9,18H,10H2,1-3H3.
What are the key properties of 1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine?
1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 44562943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).