2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol

C19H33NO — CID 63491374

IUPAC2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCCCCCCC(C)NCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H33NO/c1-5-6-7-8-9-16(4)20-14-19(21)18-12-10-17(11-13-18)15(2)3/h10-13,15-16,19-21H,5-9,14H2,1-4H3
InChIKeyLHWXNCGUNTVLJA-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.79
Rot. Bonds10

About 2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol

2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 63491374) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID63491374
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCCCCCCC(C)NCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H33NO/c1-5-6-7-8-9-16(4)20-14-19(21)18-12-10-17(11-13-18)15(2)3/h10-13,15-16,19-21H,5-9,14H2,1-4H3
InChIKeyLHWXNCGUNTVLJA-UHFFFAOYSA-N
XLogP4.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(nonan-2-ylamino)-1-phenylethanol
CID 43499169
1-(3,4-difluorophenyl)-2-(heptan-2-ylamino)ethanol
CID 60980975
2-(hexan-2-ylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 62200407
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol
CID 60909048
N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine
CID 43398775
1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol
CID 138485794
1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol
CID 60734300
(1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol
CID 138488448
2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60980974
N-(2-phenylpropyl)nonan-2-amine
CID 43130018
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087

Frequently Asked Questions

What is the IUPAC name of 2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol (CID 63491374) is 2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol is CCCCCCC(C)NCC(O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is LHWXNCGUNTVLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-6-7-8-9-16(4)20-14-19(21)18-12-10-17(11-13-18)15(2)3/h10-13,15-16,19-21H,5-9,14H2,1-4H3.
What are the key properties of 2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol?
2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 291.48 g/mol, XLogP of 4.79, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 63491374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).