(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine

C17H21NO3 — CID 43198782

IUPAC(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(OC)cc2OC)c(C)c1
InChIInChI=1S/C17H21NO3/c1-11-9-12(19-2)5-7-14(11)17(18)15-8-6-13(20-3)10-16(15)21-4/h5-10,17H,18H2,1-4H3
InChIKeyZKGQBHGFQXQXRQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.07
Rot. Bonds5

About (2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine

(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine (PubChem CID 43198782) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
PubChem CID43198782
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(OC)cc2OC)c(C)c1
InChIInChI=1S/C17H21NO3/c1-11-9-12(19-2)5-7-14(11)17(18)15-8-6-13(20-3)10-16(15)21-4/h5-10,17H,18H2,1-4H3
InChIKeyZKGQBHGFQXQXRQ-UHFFFAOYSA-N
XLogP3.07
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43197259
(2-methoxy-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62505242
(2,4-dimethoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 43197264
(2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477695
(2,4-dimethoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877206
(2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine
CID 81156141
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(2,4-dibromophenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 107945310
(4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine
CID 43464444
(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62514630
(4-chloro-2-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197289
(2,5-dichlorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43093792

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine?
The IUPAC name of (2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine (CID 43198782) is (2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine?
The canonical SMILES for (2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine is COc1ccc(C(N)c2ccc(OC)cc2OC)c(C)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine?
The InChIKey is ZKGQBHGFQXQXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-9-12(19-2)5-7-14(11)17(18)15-8-6-13(20-3)10-16(15)21-4/h5-10,17H,18H2,1-4H3.
What are the key properties of (2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine?
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine has a molecular weight of 287.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine is sourced from PubChem (CID 43198782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).