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

C17H29NO — CID 64535226

IUPAC1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(C)cc(C)c1)C(C)OCC
InChIInChI=1S/C17H29NO/c1-6-8-18-17(15(5)19-7-2)12-16-10-13(3)9-14(4)11-16/h9-11,15,17-18H,6-8,12H2,1-5H3
InChIKeyNSMRCVABULYGLY-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.64
Rot. Bonds8

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

1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine (PubChem CID 64535226) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine
PubChem CID64535226
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(C)cc(C)c1)C(C)OCC
InChIInChI=1S/C17H29NO/c1-6-8-18-17(15(5)19-7-2)12-16-10-13(3)9-14(4)11-16/h9-11,15,17-18H,6-8,12H2,1-5H3
InChIKeyNSMRCVABULYGLY-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

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Related Compounds

1-(3,5-dimethylphenyl)-3-methyl-N-propylbutan-2-amine
CID 61028769
4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine
CID 64533806
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine
CID 64532602
3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116721758
1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine
CID 112688283
1-(3,5-dimethylphenyl)-N-propylhexan-2-amine
CID 63416565
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine
CID 64535624
1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725779
2-ethoxy-N-propylnonan-3-amine
CID 64532611
2-(3,5-dimethylphenyl)-N-propylhexan-3-amine
CID 83050812
1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718299
[1-(3,5-dimethylphenyl)-3-methylhexan-2-yl]hydrazine
CID 105287241

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine (CID 64535226) is 1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine is CCCNC(Cc1cc(C)cc(C)c1)C(C)OCC.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine?
The InChIKey is NSMRCVABULYGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-8-18-17(15(5)19-7-2)12-16-10-13(3)9-14(4)11-16/h9-11,15,17-18H,6-8,12H2,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine?
1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine is sourced from PubChem (CID 64535226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).