3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine

C12H19NO — CID 23010528

IUPAC3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine
SMILESCNCCCOc1cc(C)cc(C)c1
InChIInChI=1S/C12H19NO/c1-10-7-11(2)9-12(8-10)14-6-4-5-13-3/h7-9,13H,4-6H2,1-3H3
InChIKeyDKEZRTKRWTWEOL-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.29
Rot. Bonds5

About 3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine

3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine (PubChem CID 23010528) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine
PubChem CID23010528
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine
SMILESCNCCCOc1cc(C)cc(C)c1
InChIInChI=1S/C12H19NO/c1-10-7-11(2)9-12(8-10)14-6-4-5-13-3/h7-9,13H,4-6H2,1-3H3
InChIKeyDKEZRTKRWTWEOL-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine
CID 123710934
3-(3,5-dimethylphenoxy)-N-ethylpropan-1-amine
CID 28878857
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
1-butoxy-3,5-dimethylbenzene;methanamine
CID 142103581
N-tert-butyl-4-(3,5-dimethylphenoxy)butan-1-amine
CID 2250755
N-methyl-3-phenoxypropan-1-amine
CID 22067856
3-[3-(3,5-dimethylphenoxy)propylamino]propanoic acid
CID 43466285
3-butoxy-5-methylaniline
CID 112648427
5-[3-(3,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097173
4-(3,5-dimethylphenoxy)-N-methylpentan-1-amine
CID 62453415
3-butoxy-N-[2-(3,5-dimethylphenoxy)ethyl]aniline
CID 54800670
1-[2-(3,5-dimethylphenoxy)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 110917591

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine (CID 23010528) is 3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine is CNCCCOc1cc(C)cc(C)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine?
The InChIKey is DKEZRTKRWTWEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-7-11(2)9-12(8-10)14-6-4-5-13-3/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine?
3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 23010528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).