2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine

C13H21NO — CID 83833912

IUPAC2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
SMILESCNCC(C)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C13H21NO/c1-9-6-12(11(3)8-14-4)7-10(2)13(9)15-5/h6-7,11,14H,8H2,1-5H3
InChIKeyTWBRJKKGGZYCSM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.63
Rot. Bonds4

About 2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine

2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine (PubChem CID 83833912) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
PubChem CID83833912
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
SMILESCNCC(C)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C13H21NO/c1-9-6-12(11(3)8-14-4)7-10(2)13(9)15-5/h6-7,11,14H,8H2,1-5H3
InChIKeyTWBRJKKGGZYCSM-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4,4-bis(4-methoxy-3,5-dimethylphenyl)butan-2-yl]-2-methoxy-1,3-dimethylbenzene
CID 22900375
1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 83056847
1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948631
1-bromo-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 116961995
2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol
CID 116859297
1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol
CID 117382207
2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine
CID 117299386
1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 83056700
2-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
CID 84783199
2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol
CID 117287969
3-(4-methoxy-3,5-dimethylphenyl)-3-(methylamino)propane-1-thiol
CID 116831472
1-(4-methoxy-3,5-dimethylphenyl)-N,3,3-trimethylbutane-1,4-diamine
CID 116950143

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine (CID 83833912) is 2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine is CNCC(C)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of 2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine?
The InChIKey is TWBRJKKGGZYCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9-6-12(11(3)8-14-4)7-10(2)13(9)15-5/h6-7,11,14H,8H2,1-5H3.
What are the key properties of 2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine?
2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 83833912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).