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

C18H23NO — CID 83056988

IUPAC(3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
SMILESCOc1c(C)cc(C(N)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C18H23NO/c1-11-6-7-15(8-12(11)2)17(19)16-9-13(3)18(20-5)14(4)10-16/h6-10,17H,19H2,1-5H3
InChIKeyBXWKIHMLXQQFKO-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.98
Rot. Bonds3

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

(3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine (PubChem CID 83056988) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
PubChem CID83056988
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
SMILESCOc1c(C)cc(C(N)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C18H23NO/c1-11-6-7-15(8-12(11)2)17(19)16-9-13(3)18(20-5)14(4)10-16/h6-10,17H,19H2,1-5H3
InChIKeyBXWKIHMLXQQFKO-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

(4-methoxy-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 83044207
(4-methoxy-3,5-dimethylphenyl)-(4-methylphenyl)methanamine
CID 83056835
(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 43149143
1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83044016
(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
CID 105006817
(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 65298951
(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171231254
(3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025843
(4-methoxy-3-methylphenyl)-(4-methylphenyl)methanamine
CID 43379645
(4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 83056768
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine
CID 65440107
(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 55162756

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine?
The IUPAC name of (3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine (CID 83056988) is (3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine.
What is the SMILES notation for (3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine?
The canonical SMILES for (3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine is COc1c(C)cc(C(N)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine?
The InChIKey is BXWKIHMLXQQFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-11-6-7-15(8-12(11)2)17(19)16-9-13(3)18(20-5)14(4)10-16/h6-10,17H,19H2,1-5H3.
What are the key properties of (3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine?
(3,4-dimethylphenyl)-(4-methoxy-3,5-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 (3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 83056988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).