1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine

C15H25NO — CID 105120142

IUPAC1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NC)c1cc(C)ccc1C
InChIInChI=1S/C15H25NO/c1-5-9-17-10-8-15(16-4)14-11-12(2)6-7-13(14)3/h6-7,11,15-16H,5,8-10H2,1-4H3
InChIKeySXTQHVXENDWXRE-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.38
Rot. Bonds7

About 1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine

1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine (PubChem CID 105120142) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine
PubChem CID105120142
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NC)c1cc(C)ccc1C
InChIInChI=1S/C15H25NO/c1-5-9-17-10-8-15(16-4)14-11-12(2)6-7-13(14)3/h6-7,11,15-16H,5,8-10H2,1-4H3
InChIKeySXTQHVXENDWXRE-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.38
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

1-(2,5-dimethylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105120236
1-(2,5-dimethylphenyl)-N-methylpentan-1-amine
CID 43483753
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
3-(2,5-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 64812187
1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine
CID 105120506
1-(2,5-dimethylphenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105120019
(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol
CID 55276234
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63697542
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 81056552
3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 103149424
1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine
CID 105145254
2-(2,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 63476135

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine (CID 105120142) is 1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine is CCCOCCC(NC)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine?
The InChIKey is SXTQHVXENDWXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-9-17-10-8-15(16-4)14-11-12(2)6-7-13(14)3/h6-7,11,15-16H,5,8-10H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine?
1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine is sourced from PubChem (CID 105120142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).