2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine

C19H33NO — CID 116759318

IUPAC2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine
SMILESCCCNC(c1cccc(CCC)c1)C(C)(CC)OCC
InChIInChI=1S/C19H33NO/c1-6-11-16-12-10-13-17(15-16)18(20-14-7-2)19(5,8-3)21-9-4/h10,12-13,15,18,20H,6-9,11,14H2,1-5H3
InChIKeyXNEBMCXAUOKWKA-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.89
Rot. Bonds10

About 2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine

2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine (PubChem CID 116759318) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine
PubChem CID116759318
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine
SMILESCCCNC(c1cccc(CCC)c1)C(C)(CC)OCC
InChIInChI=1S/C19H33NO/c1-6-11-16-12-10-13-17(15-16)18(20-14-7-2)19(5,8-3)21-9-4/h10,12-13,15,18,20H,6-9,11,14H2,1-5H3
InChIKeyXNEBMCXAUOKWKA-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759448
2-ethoxy-1-(furan-3-yl)-2-methyl-N-propylbutan-1-amine
CID 116759332
1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759422
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine
CID 116759333
2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 116727223
2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine
CID 105050880
2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116717137
3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116759415
2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 116760343
N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544166
2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine
CID 116544650

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine?
The IUPAC name of 2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine (CID 116759318) is 2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine is CCCNC(c1cccc(CCC)c1)C(C)(CC)OCC.
What is the InChIKey of 2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine?
The InChIKey is XNEBMCXAUOKWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-11-16-12-10-13-17(15-16)18(20-14-7-2)19(5,8-3)21-9-4/h10,12-13,15,18,20H,6-9,11,14H2,1-5H3.
What are the key properties of 2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine?
2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine is sourced from PubChem (CID 116759318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).