N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine

C17H19Cl2NO — CID 115785453

IUPACN-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-3-10-20-17(12-6-4-7-13(11-12)21-2)16-14(18)8-5-9-15(16)19/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyQWNSBUJHRBKIHW-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.09
Rot. Bonds6

About N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine

N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine (PubChem CID 115785453) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
PubChem CID115785453
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-3-10-20-17(12-6-4-7-13(11-12)21-2)16-14(18)8-5-9-15(16)19/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyQWNSBUJHRBKIHW-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

N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 43494797
N-[(3-chlorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43495020
N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 107991862
N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine
CID 43562127
N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 62501795
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 61030140
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494722
N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43562123
N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66272903
N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831680
N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 105086625

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine (CID 115785453) is N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1cccc(OC)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is QWNSBUJHRBKIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-3-10-20-17(12-6-4-7-13(11-12)21-2)16-14(18)8-5-9-15(16)19/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine?
N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine 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 N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115785453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).