1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine

C17H19Cl2NO — CID 115853395

IUPAC1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-3-11-21-13-9-7-12(8-10-13)17(20-2)14-5-4-6-15(18)16(14)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyLWJBULKBKMOTKH-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.09
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine

1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine (PubChem CID 115853395) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
PubChem CID115853395
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-3-11-21-13-9-7-12(8-10-13)17(20-2)14-5-4-6-15(18)16(14)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyLWJBULKBKMOTKH-UHFFFAOYSA-N
XLogP5.09
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 ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484734
1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 62795601
1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853389
1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026800
1-(2,6-dimethyl-3-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 105144184
1-(2,6-dichlorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105035881
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 107993035
1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62919848
[(4-butoxyphenyl)-(2-chlorophenyl)methyl]hydrazine
CID 105287427
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 107945718
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 105065538
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 107561661

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine (CID 115853395) is 1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(NC)c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The InChIKey is LWJBULKBKMOTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-3-11-21-13-9-7-12(8-10-13)17(20-2)14-5-4-6-15(18)16(14)19/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine has a molecular weight of 324.25 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 115853395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).