1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine

C17H19Cl2NO — CID 115494711

IUPAC1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(OCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-12(20-2)10-13-6-8-14(9-7-13)21-11-15-16(18)4-3-5-17(15)19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyXZFABPPZJCLSKK-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.72
Rot. Bonds6

About 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine

1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine (PubChem CID 115494711) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
PubChem CID115494711
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(OCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-12(20-2)10-13-6-8-14(9-7-13)21-11-15-16(18)4-3-5-17(15)19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyXZFABPPZJCLSKK-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-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494853
1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 103037894
methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
CID 22386629
1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane
CID 142233914
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 61496605
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494579
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494771
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethanol
CID 43503639
(2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 56777094
2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]propanoic acid
CID 66528329
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 63500625
2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxy-3-oxopropanoic acid
CID 70021605

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine?
The IUPAC name of 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine (CID 115494711) is 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine is CNC(C)Cc1ccc(OCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine?
The InChIKey is XZFABPPZJCLSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-12(20-2)10-13-6-8-14(9-7-13)21-11-15-16(18)4-3-5-17(15)19/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of 1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine?
1-[4-[(2,6-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-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine is sourced from PubChem (CID 115494711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).