2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol

C17H29NO — CID 54949204

IUPAC2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCCN(CC(O)c1ccc(CC(C)C)cc1)C(C)C
InChIInChI=1S/C17H29NO/c1-6-18(14(4)5)12-17(19)16-9-7-15(8-10-16)11-13(2)3/h7-10,13-14,17,19H,6,11-12H2,1-5H3
InChIKeyVYZYKMNPLYRKFB-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.65
Rot. Bonds7

About 2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol

2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol (PubChem CID 54949204) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
PubChem CID54949204
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCCN(CC(O)c1ccc(CC(C)C)cc1)C(C)C
InChIInChI=1S/C17H29NO/c1-6-18(14(4)5)12-17(19)16-9-7-15(8-10-16)11-13(2)3/h7-10,13-14,17,19H,6,11-12H2,1-5H3
InChIKeyVYZYKMNPLYRKFB-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82938199
2-[ethyl(2-hydroxyethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217024
2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63470564
2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60969435
2-[2-hydroxyethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217026
2-[1-methoxypropan-2-yl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60971114
3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol
CID 82928091
2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid
CID 82217025
2-[pentyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol
CID 63472297
2-[cyclopropylmethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949285
2-[2-methoxyethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol
CID 82960025
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol (CID 54949204) is 2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol is CCN(CC(O)c1ccc(CC(C)C)cc1)C(C)C.
What is the InChIKey of 2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol?
The InChIKey is VYZYKMNPLYRKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-18(14(4)5)12-17(19)16-9-7-15(8-10-16)11-13(2)3/h7-10,13-14,17,19H,6,11-12H2,1-5H3.
What are the key properties of 2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol?
2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol has a molecular weight of 263.43 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 54949204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).