3-[2-(1-hydroxyethyl)anilino]-2,2-dimethylcyclobutan-1-ol

C14H21NO2 — CID 112633908

IUPAC3-[2-(1-hydroxyethyl)anilino]-2,2-dimethylcyclobutan-1-ol
SMILESCC(O)c1ccccc1NC1CC(O)C1(C)C
InChIInChI=1S/C14H21NO2/c1-9(16)10-6-4-5-7-11(10)15-12-8-13(17)14(12,2)3/h4-7,9,12-13,15-17H,8H2,1-3H3
InChIKeyDOODPGMJBLXJBR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.31
Rot. Bonds3

About 3-[2-(1-hydroxyethyl)anilino]-2,2-dimethylcyclobutan-1-ol

3-[2-(1-hydroxyethyl)anilino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 112633908) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[2-(1-hydroxyethyl)anilino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-(1-hydroxyethyl)anilino]-2,2-dimethylcyclobutan-1-ol
PubChem CID112633908
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[2-(1-hydroxyethyl)anilino]-2,2-dimethylcyclobutan-1-ol
SMILESCC(O)c1ccccc1NC1CC(O)C1(C)C
InChIInChI=1S/C14H21NO2/c1-9(16)10-6-4-5-7-11(10)15-12-8-13(17)14(12,2)3/h4-7,9,12-13,15-17H,8H2,1-3H3
InChIKeyDOODPGMJBLXJBR-UHFFFAOYSA-N
XLogP2.31
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol
CID 112633731
3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 112633776
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylbenzenesulfonamide
CID 112633825
2,2-dimethyl-3-[2-(pyrrolidin-1-ylmethyl)anilino]cyclobutan-1-ol
CID 115972290
1-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]ethanol
CID 81466936
2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol
CID 112633171
3-(2-imidazol-1-ylanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633436
3-(2,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633155
2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol
CID 112633301
3-(4-amino-2-chloroanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628645
3-(2-amino-5-chloroanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628781
1-[2-(1-hydroxyethylamino)phenyl]ethanol
CID 141441966

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-hydroxyethyl)anilino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[2-(1-hydroxyethyl)anilino]-2,2-dimethylcyclobutan-1-ol (CID 112633908) is 3-[2-(1-hydroxyethyl)anilino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[2-(1-hydroxyethyl)anilino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[2-(1-hydroxyethyl)anilino]-2,2-dimethylcyclobutan-1-ol is CC(O)c1ccccc1NC1CC(O)C1(C)C.
What is the InChIKey of 3-[2-(1-hydroxyethyl)anilino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is DOODPGMJBLXJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(16)10-6-4-5-7-11(10)15-12-8-13(17)14(12,2)3/h4-7,9,12-13,15-17H,8H2,1-3H3.
What are the key properties of 3-[2-(1-hydroxyethyl)anilino]-2,2-dimethylcyclobutan-1-ol?
3-[2-(1-hydroxyethyl)anilino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-hydroxyethyl)anilino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 112633908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).