N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine

C16H17Cl2NO2 — CID 60961220

IUPACN-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2c(Cl)cccc2Cl)c(OC)c1
InChIInChI=1S/C16H17Cl2NO2/c1-20-12-7-6-11(16(8-12)21-2)9-19-10-13-14(17)4-3-5-15(13)18/h3-8,19H,9-10H2,1-2H3
InChIKeyQCKCCZPRLFTJOV-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.30
Rot. Bonds6

About N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine

N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine (PubChem CID 60961220) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
PubChem CID60961220
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2c(Cl)cccc2Cl)c(OC)c1
InChIInChI=1S/C16H17Cl2NO2/c1-20-12-7-6-11(16(8-12)21-2)9-19-10-13-14(17)4-3-5-15(13)18/h3-8,19H,9-10H2,1-2H3
InChIKeyQCKCCZPRLFTJOV-UHFFFAOYSA-N
XLogP4.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 4719073
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine;hydrochloride
CID 17293463
1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318862
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 115595290
N-[(5-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 103792636
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
1-(3-chloro-4-fluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 62537275
N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 119126928
1-(2,4-dimethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47020695
N-[(2,4-dimethoxyphenyl)methyl]prop-2-yn-1-amine;ethane
CID 171535788

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine (CID 60961220) is N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine is COc1ccc(CNCc2c(Cl)cccc2Cl)c(OC)c1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine?
The InChIKey is QCKCCZPRLFTJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-20-12-7-6-11(16(8-12)21-2)9-19-10-13-14(17)4-3-5-15(13)18/h3-8,19H,9-10H2,1-2H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine?
N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine has a molecular weight of 326.22 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 60961220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).