2-[pentyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol

C19H33NO — CID 63472297

IUPAC2-[pentyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol
SMILESCCCCCN(CC(O)c1ccc(CCC)cc1)C(C)C
InChIInChI=1S/C19H33NO/c1-5-7-8-14-20(16(3)4)15-19(21)18-12-10-17(9-6-2)11-13-18/h10-13,16,19,21H,5-9,14-15H2,1-4H3
InChIKeyDJANDCWVSQIUQE-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.57
Rot. Bonds10

About 2-[pentyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol

2-[pentyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol (PubChem CID 63472297) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-[pentyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol.

Molecular Properties

Compound Name2-[pentyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol
PubChem CID63472297
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-[pentyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol
SMILESCCCCCN(CC(O)c1ccc(CCC)cc1)C(C)C
InChIInChI=1S/C19H33NO/c1-5-7-8-14-20(16(3)4)15-19(21)18-12-10-17(9-6-2)11-13-18/h10-13,16,19,21H,5-9,14-15H2,1-4H3
InChIKeyDJANDCWVSQIUQE-UHFFFAOYSA-N
XLogP4.57
TPSA23.47 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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-methoxyethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol
CID 82960025
1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol
CID 62266967
N'-propan-2-yl-N'-propyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43269507
2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949204
2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol
CID 81061903
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462519
2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82938199
3-methyl-1-(4-propylphenyl)pentan-1-ol
CID 114875906
(1S)-1-(4-octylphenyl)ethanol
CID 67859464
1-(4-butylphenyl)butan-1-ol
CID 61088483
2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63470564
2-(methylamino)-1-(4-propylphenyl)ethanol
CID 64988870

Frequently Asked Questions

What is the IUPAC name of 2-[pentyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol?
The IUPAC name of 2-[pentyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol (CID 63472297) is 2-[pentyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol.
What is the SMILES notation for 2-[pentyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol?
The canonical SMILES for 2-[pentyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol is CCCCCN(CC(O)c1ccc(CCC)cc1)C(C)C.
What is the InChIKey of 2-[pentyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol?
The InChIKey is DJANDCWVSQIUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-7-8-14-20(16(3)4)15-19(21)18-12-10-17(9-6-2)11-13-18/h10-13,16,19,21H,5-9,14-15H2,1-4H3.
What are the key properties of 2-[pentyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol?
2-[pentyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol has a molecular weight of 291.48 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pentyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol is sourced from PubChem (CID 63472297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).