(2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine

C17H21NO — CID 106680388

IUPAC(2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine
SMILESCOc1cc(C)cc(C)c1C(N)c1cccc(C)c1
InChIInChI=1S/C17H21NO/c1-11-6-5-7-14(9-11)17(18)16-13(3)8-12(2)10-15(16)19-4/h5-10,17H,18H2,1-4H3
InChIKeyAANPPBFWBYYVEB-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.67
Rot. Bonds3

About (2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine

(2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine (PubChem CID 106680388) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine
PubChem CID106680388
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine
SMILESCOc1cc(C)cc(C)c1C(N)c1cccc(C)c1
InChIInChI=1S/C17H21NO/c1-11-6-5-7-14(9-11)17(18)16-13(3)8-12(2)10-15(16)19-4/h5-10,17H,18H2,1-4H3
InChIKeyAANPPBFWBYYVEB-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methoxy-4,6-dimethylphenyl)-(4-methoxyphenyl)methanamine
CID 106680347
(3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680831
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791356
(2-methoxy-4,6-dimethylphenyl)-(6-methyl-2-pyridinyl)methanamine
CID 106680561
(2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanamine
CID 106682403
(4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106848613
(2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680488
[(2-methoxy-4,6-dimethylphenyl)-phenylmethyl]hydrazine
CID 106682684
1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106682258
(3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679553
(5-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680991
1-(2-methoxy-4,6-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 106680353

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine?
The IUPAC name of (2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine (CID 106680388) is (2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine.
What is the SMILES notation for (2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine?
The canonical SMILES for (2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine is COc1cc(C)cc(C)c1C(N)c1cccc(C)c1.
What is the InChIKey of (2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine?
The InChIKey is AANPPBFWBYYVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-11-6-5-7-14(9-11)17(18)16-13(3)8-12(2)10-15(16)19-4/h5-10,17H,18H2,1-4H3.
What are the key properties of (2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine?
(2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine has a molecular weight of 255.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine is sourced from PubChem (CID 106680388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).