1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine

C17H29NO2 — CID 102928611

IUPAC1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
SMILESCCCNC(CCOCCOC)c1cc(C)cc(C)c1
InChIInChI=1S/C17H29NO2/c1-5-7-18-17(6-8-20-10-9-19-4)16-12-14(2)11-15(3)13-16/h11-13,17-18H,5-10H2,1-4H3
InChIKeyPUWSEHDBBXQHRZ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.40
Rot. Bonds10

About 1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine

1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine (PubChem CID 102928611) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
PubChem CID102928611
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
SMILESCCCNC(CCOCCOC)c1cc(C)cc(C)c1
InChIInChI=1S/C17H29NO2/c1-5-7-18-17(6-8-20-10-9-19-4)16-12-14(2)11-15(3)13-16/h11-13,17-18H,5-10H2,1-4H3
InChIKeyPUWSEHDBBXQHRZ-UHFFFAOYSA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105096998
1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63417237
1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031317
1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
CID 115796817
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79954110
1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928516
1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928630
1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79092551
1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine
CID 61412351
3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 102928614
[1-(3,5-dimethylphenyl)-3-methoxypropyl]hydrazine
CID 105206512
1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 106654785

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine (CID 102928611) is 1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine is CCCNC(CCOCCOC)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine?
The InChIKey is PUWSEHDBBXQHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-7-18-17(6-8-20-10-9-19-4)16-12-14(2)11-15(3)13-16/h11-13,17-18H,5-10H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine?
1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine is sourced from PubChem (CID 102928611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).