1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine

C13H21NO — CID 83056847

IUPAC1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
SMILESCCC(NC)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C13H21NO/c1-6-12(14-4)11-7-9(2)13(15-5)10(3)8-11/h7-8,12,14H,6H2,1-5H3
InChIKeyDGDWABLONNSPFY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.98
Rot. Bonds4

About 1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine

1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine (PubChem CID 83056847) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
PubChem CID83056847
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
SMILESCCC(NC)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C13H21NO/c1-6-12(14-4)11-7-9(2)13(15-5)10(3)8-11/h7-8,12,14H,6H2,1-5H3
InChIKeyDGDWABLONNSPFY-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol
CID 116859297
1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948631
3-(4-methoxy-3,5-dimethylphenyl)-3-(methylamino)propane-1-thiol
CID 116831472
1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 83056700
1-(4-fluoro-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 65299194
1-(4-methoxy-3,5-dimethylphenyl)-N,3,3-trimethylbutane-1,4-diamine
CID 116950143
1-bromo-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 116961995
1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 83056918
2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 116964178
(1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride
CID 171211620
2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine
CID 83057136
N-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 83057067

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine (CID 83056847) is 1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine is CCC(NC)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of 1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine?
The InChIKey is DGDWABLONNSPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-6-12(14-4)11-7-9(2)13(15-5)10(3)8-11/h7-8,12,14H,6H2,1-5H3.
What are the key properties of 1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine?
1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 83056847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).