2-(3-propan-2-ylanilino)ethanol

C11H17NO — CID 28973580

IUPAC2-(3-propan-2-ylanilino)ethanol
SMILESCC(C)c1cccc(NCCO)c1
InChIInChI=1S/C11H17NO/c1-9(2)10-4-3-5-11(8-10)12-6-7-13/h3-5,8-9,12-13H,6-7H2,1-2H3
InChIKeyFTGRATHBDQVFIQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.21
Rot. Bonds4

About 2-(3-propan-2-ylanilino)ethanol

2-(3-propan-2-ylanilino)ethanol (PubChem CID 28973580) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(3-propan-2-ylanilino)ethanol.

Molecular Properties

Compound Name2-(3-propan-2-ylanilino)ethanol
PubChem CID28973580
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(3-propan-2-ylanilino)ethanol
SMILESCC(C)c1cccc(NCCO)c1
InChIInChI=1S/C11H17NO/c1-9(2)10-4-3-5-11(8-10)12-6-7-13/h3-5,8-9,12-13H,6-7H2,1-2H3
InChIKeyFTGRATHBDQVFIQ-UHFFFAOYSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylsulfonylethyl)-3-propan-2-ylaniline
CID 60719750
N-(methylsulfanylmethyl)-3-propan-2-ylaniline
CID 139386106
1-chloro-3-(3-propan-2-ylanilino)propan-2-ol
CID 168640793
N'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide
CID 77061838
N-(3-ethylsulfonylpropyl)-3-propan-2-ylaniline
CID 65093459
methyl 2-(3-propan-2-ylanilino)acetate
CID 20824069
3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline
CID 60719749
N,N-dimethyl-2-(3-propan-2-ylanilino)acetamide
CID 28837936
1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol
CID 60900023
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
N-[(2-ethylphenyl)methyl]-3-propan-2-ylaniline
CID 63421353
1-[3-(2-methoxyethylamino)phenyl]ethanol
CID 83962984

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylanilino)ethanol?
The IUPAC name of 2-(3-propan-2-ylanilino)ethanol (CID 28973580) is 2-(3-propan-2-ylanilino)ethanol.
What is the SMILES notation for 2-(3-propan-2-ylanilino)ethanol?
The canonical SMILES for 2-(3-propan-2-ylanilino)ethanol is CC(C)c1cccc(NCCO)c1.
What is the InChIKey of 2-(3-propan-2-ylanilino)ethanol?
The InChIKey is FTGRATHBDQVFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(2)10-4-3-5-11(8-10)12-6-7-13/h3-5,8-9,12-13H,6-7H2,1-2H3.
What are the key properties of 2-(3-propan-2-ylanilino)ethanol?
2-(3-propan-2-ylanilino)ethanol has a molecular weight of 179.26 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylanilino)ethanol is sourced from PubChem (CID 28973580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).