1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine

C17H19Cl2NO — CID 107305765

IUPAC1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C17H19Cl2NO/c1-3-15(20-2)13-8-4-5-10-16(13)21-11-12-7-6-9-14(18)17(12)19/h4-10,15,20H,3,11H2,1-2H3
InChIKeyXFWVVOSTDYDBMV-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.24
Rot. Bonds6

About 1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine

1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine (PubChem CID 107305765) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
PubChem CID107305765
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C17H19Cl2NO/c1-3-15(20-2)13-8-4-5-10-16(13)21-11-12-7-6-9-14(18)17(12)19/h4-10,15,20H,3,11H2,1-2H3
InChIKeyXFWVVOSTDYDBMV-UHFFFAOYSA-N
XLogP5.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 107306815
1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 65318748
1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 63500622
1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 107305892
1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 63500974
(1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine
CID 78932396
(1R)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 102856285
(1R)-1-[2-[(2,3-dichlorophenyl)methoxy]-5-methylphenyl]ethanol
CID 107306824
1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene
CID 107310416
N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 60883030
1-[2-[2-(dimethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279076
1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279062

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine (CID 107305765) is 1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccccc1OCc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine?
The InChIKey is XFWVVOSTDYDBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-3-15(20-2)13-8-4-5-10-16(13)21-11-12-7-6-9-14(18)17(12)19/h4-10,15,20H,3,11H2,1-2H3.
What are the key properties of 1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine?
1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine has a molecular weight of 324.25 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 107305765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).