N-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine

C15H15Cl2NO — CID 60663542

IUPACN-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-19-13-6-2-4-11(8-13)9-18-10-12-5-3-7-14(16)15(12)17/h2-8,18H,9-10H2,1H3
InChIKeyPHUWQIAPOZVJBJ-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.29
Rot. Bonds5

About N-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine

N-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine (PubChem CID 60663542) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine
PubChem CID60663542
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-19-13-6-2-4-11(8-13)9-18-10-12-5-3-7-14(16)15(12)17/h2-8,18H,9-10H2,1H3
InChIKeyPHUWQIAPOZVJBJ-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(chloromethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanamine
CID 107310005
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 65022037
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60663527
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251
1-(3-methoxyphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine
CID 62473866
3-[(3-methoxyphenyl)methylamino]propane-1-thiol
CID 115224939
1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine
CID 165111805
N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3575354
1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760836
N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine
CID 115260862

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine (CID 60663542) is N-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine is COc1cccc(CNCc2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine?
The InChIKey is PHUWQIAPOZVJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-19-13-6-2-4-11(8-13)9-18-10-12-5-3-7-14(16)15(12)17/h2-8,18H,9-10H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine?
N-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine has a molecular weight of 296.20 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 60663542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).