1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine

C13H21NO — CID 43482752

IUPAC1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccc(OC)cc1C)C(C)C
InChIInChI=1S/C13H21NO/c1-9(2)13(14-4)12-7-6-11(15-5)8-10(12)3/h6-9,13-14H,1-5H3
InChIKeyZCDXSXACFLIEEK-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.92
Rot. Bonds4

About 1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine

1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine (PubChem CID 43482752) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
PubChem CID43482752
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccc(OC)cc1C)C(C)C
InChIInChI=1S/C13H21NO/c1-9(2)13(14-4)12-7-6-11(15-5)8-10(12)3/h6-9,13-14H,1-5H3
InChIKeyZCDXSXACFLIEEK-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine
CID 43481972
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 43490085
2-cyclohexyl-2-methoxy-1-(4-methoxy-2-methylphenyl)-N-methylethanamine
CID 116771624
2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine
CID 116721568
1-(furan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482730
1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859416
1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 106851550
1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 43495595
4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline
CID 94885289
4-methoxy-2-methyl-1-(3-methyl-4-propan-2-ylphenyl)benzene
CID 21034216
2-methoxy-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-ol
CID 116711995
2-fluoro-2-(4-methoxy-2-methylphenyl)-N-methylethanamine
CID 105426266

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine (CID 43482752) is 1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine is CNC(c1ccc(OC)cc1C)C(C)C.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine?
The InChIKey is ZCDXSXACFLIEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)13(14-4)12-7-6-11(15-5)8-10(12)3/h6-9,13-14H,1-5H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine?
1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 43482752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).