2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol

C17H29NO2 — CID 81061903

IUPAC2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)CN(C)CCOC(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-5-6-15-7-9-16(10-8-15)17(19)13-18(4)11-12-20-14(2)3/h7-10,14,17,19H,5-6,11-13H2,1-4H3
InChIKeyAFKXDNQQCWSETJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.03
Rot. Bonds9

About 2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol

2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol (PubChem CID 81061903) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol.

Molecular Properties

Compound Name2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol
PubChem CID81061903
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)CN(C)CCOC(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-5-6-15-7-9-16(10-8-15)17(19)13-18(4)11-12-20-14(2)3/h7-10,14,17,19H,5-6,11-13H2,1-4H3
InChIKeyAFKXDNQQCWSETJ-UHFFFAOYSA-N
XLogP3.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 81036228
2-[2-methoxyethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol
CID 82960025
2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
CID 63631981
(2S)-1-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 103935283
4-[3-[[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methylamino]propyl]phenol
CID 70462662
2-[pentyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol
CID 63472297
2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
CID 63471920
1-(2-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 81058667
2-[2-hydroxyethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217026
1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol
CID 110935898
1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 81062270
3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol
CID 116502564

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol?
The IUPAC name of 2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol (CID 81061903) is 2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol.
What is the SMILES notation for 2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol?
The canonical SMILES for 2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol is CCCc1ccc(C(O)CN(C)CCOC(C)C)cc1.
What is the InChIKey of 2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol?
The InChIKey is AFKXDNQQCWSETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-6-15-7-9-16(10-8-15)17(19)13-18(4)11-12-20-14(2)3/h7-10,14,17,19H,5-6,11-13H2,1-4H3.
What are the key properties of 2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol?
2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol has a molecular weight of 279.42 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol is sourced from PubChem (CID 81061903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).