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

C17H21NO — CID 83056835

IUPAC(4-methoxy-3,5-dimethylphenyl)-(4-methylphenyl)methanamine
SMILESCOc1c(C)cc(C(N)c2ccc(C)cc2)cc1C
InChIInChI=1S/C17H21NO/c1-11-5-7-14(8-6-11)16(18)15-9-12(2)17(19-4)13(3)10-15/h5-10,16H,18H2,1-4H3
InChIKeyMAUKATALQOGUGK-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.67
Rot. Bonds3

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

(4-methoxy-3,5-dimethylphenyl)-(4-methylphenyl)methanamine (PubChem CID 83056835) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (4-methoxy-3,5-dimethylphenyl)-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-methoxy-3,5-dimethylphenyl)-(4-methylphenyl)methanamine
PubChem CID83056835
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(4-methoxy-3,5-dimethylphenyl)-(4-methylphenyl)methanamine
SMILESCOc1c(C)cc(C(N)c2ccc(C)cc2)cc1C
InChIInChI=1S/C17H21NO/c1-11-5-7-14(8-6-11)16(18)15-9-12(2)17(19-4)13(3)10-15/h5-10,16H,18H2,1-4H3
InChIKeyMAUKATALQOGUGK-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

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Related Compounds

(3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83056988
(4-methoxy-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 83044207
(4-methoxy-3-methylphenyl)-(4-methylphenyl)methanamine
CID 43379645
(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171231254
1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83044016
(4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 83056768
(3-fluoro-5-methylphenyl)-(4-methylphenyl)methanamine
CID 79704327
(4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine
CID 43121496
(2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 107987604
(4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83044020
2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82395059
(1R)-1-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-amine
CID 55274807

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3,5-dimethylphenyl)-(4-methylphenyl)methanamine?
The IUPAC name of (4-methoxy-3,5-dimethylphenyl)-(4-methylphenyl)methanamine (CID 83056835) is (4-methoxy-3,5-dimethylphenyl)-(4-methylphenyl)methanamine.
What is the SMILES notation for (4-methoxy-3,5-dimethylphenyl)-(4-methylphenyl)methanamine?
The canonical SMILES for (4-methoxy-3,5-dimethylphenyl)-(4-methylphenyl)methanamine is COc1c(C)cc(C(N)c2ccc(C)cc2)cc1C.
What is the InChIKey of (4-methoxy-3,5-dimethylphenyl)-(4-methylphenyl)methanamine?
The InChIKey is MAUKATALQOGUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-11-5-7-14(8-6-11)16(18)15-9-12(2)17(19-4)13(3)10-15/h5-10,16H,18H2,1-4H3.
What are the key properties of (4-methoxy-3,5-dimethylphenyl)-(4-methylphenyl)methanamine?
(4-methoxy-3,5-dimethylphenyl)-(4-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 (4-methoxy-3,5-dimethylphenyl)-(4-methylphenyl)methanamine is sourced from PubChem (CID 83056835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).