1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine

C16H17Cl2NO — CID 107305773

IUPAC1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H17Cl2NO/c1-11(19-2)12-6-8-14(9-7-12)20-10-13-4-3-5-15(17)16(13)18/h3-9,11,19H,10H2,1-2H3
InChIKeyRLYCOXADTILFSW-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.85
Rot. Bonds5

About 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine

1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine (PubChem CID 107305773) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine
PubChem CID107305773
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H17Cl2NO/c1-11(19-2)12-6-8-14(9-7-12)20-10-13-4-3-5-15(17)16(13)18/h3-9,11,19H,10H2,1-2H3
InChIKeyRLYCOXADTILFSW-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 107306798
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107305705
1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 43279242
1-[4-[(2,3-dichlorophenyl)methylsulfanyl]phenyl]-N-methylethanamine
CID 107310191
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 43285011
2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 107311946
(1R)-1-[3-[(2,3-dichlorophenyl)methoxy]phenyl]ethanol
CID 107094586
1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 107305892
1-[4-[(2-chlorophenyl)methoxy]phenyl]ethanamine
CID 43189009
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 63500625
N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107305709
N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine (CID 107305773) is 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine is CNC(C)c1ccc(OCc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is RLYCOXADTILFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-11(19-2)12-6-8-14(9-7-12)20-10-13-4-3-5-15(17)16(13)18/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine?
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 310.22 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 107305773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).