(3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine

C15H17ClN2O — CID 105179062

IUPAC(3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2ccncc2Cl)cc1C
InChIInChI=1S/C15H17ClN2O/c1-9-7-14(19-3)10(2)6-12(9)15(17)11-4-5-18-8-13(11)16/h4-8,15H,17H2,1-3H3
InChIKeyLYHHTHIKTOODGL-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.41
Rot. Bonds3

About (3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine

(3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine (PubChem CID 105179062) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
PubChem CID105179062
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name(3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2ccncc2Cl)cc1C
InChIInChI=1S/C15H17ClN2O/c1-9-7-14(19-3)10(2)6-12(9)15(17)11-4-5-18-8-13(11)16/h4-8,15H,17H2,1-3H3
InChIKeyLYHHTHIKTOODGL-UHFFFAOYSA-N
XLogP3.41
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dichlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032745
(3-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758356
(3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine
CID 105086338
(2-bromo-4-chlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 107995034
(3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032704
[(3-ethyl-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 105262303
(2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine
CID 105065497
1-(3-chloro-4-pyridinyl)-2-(3,4-dimethylphenyl)ethanamine
CID 105109629
(2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032726
(2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032758
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 112655524

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The IUPAC name of (3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine (CID 105179062) is (3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The canonical SMILES for (3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine is COc1cc(C)c(C(N)c2ccncc2Cl)cc1C.
What is the InChIKey of (3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The InChIKey is LYHHTHIKTOODGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-9-7-14(19-3)10(2)6-12(9)15(17)11-4-5-18-8-13(11)16/h4-8,15H,17H2,1-3H3.
What are the key properties of (3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
(3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine has a molecular weight of 276.77 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 105179062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).