1-[4-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine

C17H19Cl2NO — CID 115494853

IUPAC1-[4-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(OCc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-12(20-2)9-13-3-6-16(7-4-13)21-11-14-10-15(18)5-8-17(14)19/h3-8,10,12,20H,9,11H2,1-2H3
InChIKeyBMLVENXOPQNPCT-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.72
Rot. Bonds6

About 1-[4-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine

1-[4-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine (PubChem CID 115494853) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-[4-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
PubChem CID115494853
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-[4-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(OCc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-12(20-2)9-13-3-6-16(7-4-13)21-11-14-10-15(18)5-8-17(14)19/h3-8,10,12,20H,9,11H2,1-2H3
InChIKeyBMLVENXOPQNPCT-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 103037894
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494711
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494771
4-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 65317709
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115495018
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494579
2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol
CID 115494621
N-methyl-1-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 102880495
N-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79781870
4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 115494851
1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 102620565

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine?
The IUPAC name of 1-[4-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine (CID 115494853) is 1-[4-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[4-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[4-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine is CNC(C)Cc1ccc(OCc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 1-[4-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine?
The InChIKey is BMLVENXOPQNPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-12(20-2)9-13-3-6-16(7-4-13)21-11-14-10-15(18)5-8-17(14)19/h3-8,10,12,20H,9,11H2,1-2H3.
What are the key properties of 1-[4-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine?
1-[4-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine has a molecular weight of 324.25 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine is sourced from PubChem (CID 115494853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).