(2,6-dichlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine

C16H17Cl2NO — CID 105032745

IUPAC(2,6-dichlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2c(Cl)cccc2Cl)cc1C
InChIInChI=1S/C16H17Cl2NO/c1-9-8-14(20-3)10(2)7-11(9)16(19)15-12(17)5-4-6-13(15)18/h4-8,16H,19H2,1-3H3
InChIKeyXUBVGNSWHWFSJG-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.67
Rot. Bonds3

About (2,6-dichlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine

(2,6-dichlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine (PubChem CID 105032745) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
PubChem CID105032745
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name(2,6-dichlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2c(Cl)cccc2Cl)cc1C
InChIInChI=1S/C16H17Cl2NO/c1-9-8-14(20-3)10(2)7-11(9)16(19)15-12(17)5-4-6-13(15)18/h4-8,16H,19H2,1-3H3
InChIKeyXUBVGNSWHWFSJG-UHFFFAOYSA-N
XLogP4.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2-chloro-6-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 105332922
(3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105179062
(2-bromo-4-chlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 107995034
(3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032704
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine
CID 43330575
1-[chloro-(2-chloro-6-fluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63434780
(2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626075
methoxy-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116947261
(2-chloro-6-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545797
(2,6-dichlorophenyl)-(3,4-dimethylphenyl)methanamine
CID 43149184
[2-(2-chlorophenyl)-1-(4-methoxy-2,5-dimethylphenyl)ethyl]hydrazine
CID 105209646

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The IUPAC name of (2,6-dichlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine (CID 105032745) is (2,6-dichlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine.
What is the SMILES notation for (2,6-dichlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The canonical SMILES for (2,6-dichlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine is COc1cc(C)c(C(N)c2c(Cl)cccc2Cl)cc1C.
What is the InChIKey of (2,6-dichlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The InChIKey is XUBVGNSWHWFSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-9-8-14(20-3)10(2)7-11(9)16(19)15-12(17)5-4-6-13(15)18/h4-8,16H,19H2,1-3H3.
What are the key properties of (2,6-dichlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
(2,6-dichlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine has a molecular weight of 310.22 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 105032745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).