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

C18H23NO — CID 105032704

IUPAC(3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2cc(C)cc(C)c2)cc1C
InChIInChI=1S/C18H23NO/c1-11-6-12(2)8-15(7-11)18(19)16-9-14(4)17(20-5)10-13(16)3/h6-10,18H,19H2,1-5H3
InChIKeyJMQJKOQBWJGTSD-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.98
Rot. Bonds3

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

(3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine (PubChem CID 105032704) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
PubChem CID105032704
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2cc(C)cc(C)c2)cc1C
InChIInChI=1S/C18H23NO/c1-11-6-12(2)8-15(7-11)18(19)16-9-14(4)17(20-5)10-13(16)3/h6-10,18H,19H2,1-5H3
InChIKeyJMQJKOQBWJGTSD-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032843
(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
(3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626695
methoxy-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116947261
(2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 115483715
(1,3-dimethylpyrazol-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 102804395
(2-bromo-4-chlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 107995034
(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032943
[(3-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 105257541
(2,6-dichlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032745

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The IUPAC name of (3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine (CID 105032704) is (3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine.
What is the SMILES notation for (3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The canonical SMILES for (3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine is COc1cc(C)c(C(N)c2cc(C)cc(C)c2)cc1C.
What is the InChIKey of (3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The InChIKey is JMQJKOQBWJGTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-11-6-12(2)8-15(7-11)18(19)16-9-14(4)17(20-5)10-13(16)3/h6-10,18H,19H2,1-5H3.
What are the key properties of (3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
(3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 105032704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).