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

C18H31NO — CID 63470564

IUPAC2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCCCCN(CC)CC(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H31NO/c1-5-7-12-19(6-2)14-18(20)17-10-8-16(9-11-17)13-15(3)4/h8-11,15,18,20H,5-7,12-14H2,1-4H3
InChIKeyFYCSAHOKRKJLBW-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.04
Rot. Bonds9

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

2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol (PubChem CID 63470564) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
PubChem CID63470564
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCCCCN(CC)CC(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H31NO/c1-5-7-12-19(6-2)14-18(20)17-10-8-16(9-11-17)13-15(3)4/h8-11,15,18,20H,5-7,12-14H2,1-4H3
InChIKeyFYCSAHOKRKJLBW-UHFFFAOYSA-N
XLogP4.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl(2-hydroxyethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217024
2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949204
1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol
CID 43273373
2-[2-hydroxyethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217026
2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol
CID 82215609
2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949371
2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60969435
1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol
CID 60896684
(1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
CID 95170921
4-[2-(dibutylamino)-1-hydroxyethyl]benzenecarbothioamide
CID 43290538
N-[2-chloro-2-(4-ethylphenyl)ethyl]-N-ethylbutan-1-amine
CID 82214360
N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]ethanesulfonamide
CID 70412176

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol (CID 63470564) is 2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol is CCCCN(CC)CC(O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol?
The InChIKey is FYCSAHOKRKJLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-7-12-19(6-2)14-18(20)17-10-8-16(9-11-17)13-15(3)4/h8-11,15,18,20H,5-7,12-14H2,1-4H3.
What are the key properties of 2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol?
2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol has a molecular weight of 277.45 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 63470564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).