4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline

C18H24N2O — CID 103435266

IUPAC4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline
SMILESCOc1c(C(N)c2ccc(N(C)C)cc2)ccc(C)c1C
InChIInChI=1S/C18H24N2O/c1-12-6-11-16(18(21-5)13(12)2)17(19)14-7-9-15(10-8-14)20(3)4/h6-11,17H,19H2,1-5H3
InChIKeyPOGBSOCHSFGKAF-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.43
Rot. Bonds4

About 4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline

4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline (PubChem CID 103435266) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline
PubChem CID103435266
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline
SMILESCOc1c(C(N)c2ccc(N(C)C)cc2)ccc(C)c1C
InChIInChI=1S/C18H24N2O/c1-12-6-11-16(18(21-5)13(12)2)17(19)14-7-9-15(10-8-14)20(3)4/h6-11,17H,19H2,1-5H3
InChIKeyPOGBSOCHSFGKAF-UHFFFAOYSA-N
XLogP3.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline
CID 107515261
(2,6-dimethyl-4-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 107503056
(3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433807
(5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433757
(2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 106858983
(2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 103435543
(4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433501
4-[amino-(2,6-dimethoxyphenyl)methyl]-N,N-dimethylaniline
CID 105188768
(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 103433834
(2-methoxy-3,4-dimethylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 103433515
(4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103435334
[(3,4-dimethylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436388

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline (CID 103435266) is 4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline is COc1c(C(N)c2ccc(N(C)C)cc2)ccc(C)c1C.
What is the InChIKey of 4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline?
The InChIKey is POGBSOCHSFGKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-6-11-16(18(21-5)13(12)2)17(19)14-7-9-15(10-8-14)20(3)4/h6-11,17H,19H2,1-5H3.
What are the key properties of 4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline?
4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline has a molecular weight of 284.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 103435266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).