1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine

C17H29NO — CID 112688283

IUPAC1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine
SMILESCCCNC(CCOCC)Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H29NO/c1-5-8-18-17(7-9-19-6-2)13-16-11-14(3)10-15(4)12-16/h10-12,17-18H,5-9,13H2,1-4H3
InChIKeyAWSAPKPZMOINGR-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.64
Rot. Bonds9

About 1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine

1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine (PubChem CID 112688283) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine
PubChem CID112688283
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine
SMILESCCCNC(CCOCC)Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H29NO/c1-5-8-18-17(7-9-19-6-2)13-16-11-14(3)10-15(4)12-16/h10-12,17-18H,5-9,13H2,1-4H3
InChIKeyAWSAPKPZMOINGR-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.64
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-(3,5-dimethylphenyl)-N-propylhexan-2-amine
CID 63416565
5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 105121210
1-(4-tert-butylphenyl)-4-ethoxy-N-propylbutan-2-amine
CID 105136157
4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine
CID 106815088
3-(3,5-dimethylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79089402
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 61392639
1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine
CID 64535226
1-(3,5-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 62605123
1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine
CID 115601707
1-(2-bromo-4-fluorophenyl)-4-ethoxy-N-propylbutan-2-amine
CID 105136270
1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine
CID 105086143
4-ethoxy-1-propoxy-N-propylbutan-2-amine
CID 112688262

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine (CID 112688283) is 1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine is CCCNC(CCOCC)Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine?
The InChIKey is AWSAPKPZMOINGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-8-18-17(7-9-19-6-2)13-16-11-14(3)10-15(4)12-16/h10-12,17-18H,5-9,13H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine?
1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine is sourced from PubChem (CID 112688283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).