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

C17H29NO — CID 54949371

IUPAC2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol
SMILESCCN(CC(C)C)CC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NO/c1-6-18(11-13(2)3)12-17(19)16-9-7-15(8-10-16)14(4)5/h7-10,13-14,17,19H,6,11-12H2,1-5H3
InChIKeyXJLYJAVCLKFWOA-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.82
Rot. Bonds7

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

2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 54949371) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol
PubChem CID54949371
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol
SMILESCCN(CC(C)C)CC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NO/c1-6-18(11-13(2)3)12-17(19)16-9-7-15(8-10-16)14(4)5/h7-10,13-14,17,19H,6,11-12H2,1-5H3
InChIKeyXJLYJAVCLKFWOA-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol
CID 43273373
N'-ethyl-N'-(2-methylpropyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43273657
2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60969080
3-[[2-(4-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropanenitrile
CID 110904783
2-[bis(2-methylpropyl)amino]-1-pyridin-4-ylethanol
CID 82216500
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
1-(4-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265758
2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 82217067
1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 63954700
3-[bis(2-methylpropyl)amino]-1-(4-butan-2-ylphenyl)propan-1-ol
CID 110830722
2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
CID 82215871

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol (CID 54949371) is 2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol is CCN(CC(C)C)CC(O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is XJLYJAVCLKFWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-18(11-13(2)3)12-17(19)16-9-7-15(8-10-16)14(4)5/h7-10,13-14,17,19H,6,11-12H2,1-5H3.
What are the key properties of 2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol?
2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 263.43 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 54949371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).