4-(1-amino-3,3-dimethylcyclobutyl)phenol

C12H17NO — CID 115018738

IUPAC4-(1-amino-3,3-dimethylcyclobutyl)phenol
SMILESCC1(C)CC(N)(c2ccc(O)cc2)C1
InChIInChI=1S/C12H17NO/c1-11(2)7-12(13,8-11)9-3-5-10(14)6-4-9/h3-6,14H,7-8,13H2,1-2H3
InChIKeyCPUGQCGFDNMOBH-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.37
Rot. Bonds1

About 4-(1-amino-3,3-dimethylcyclobutyl)phenol

4-(1-amino-3,3-dimethylcyclobutyl)phenol (PubChem CID 115018738) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(1-amino-3,3-dimethylcyclobutyl)phenol.

Molecular Properties

Compound Name4-(1-amino-3,3-dimethylcyclobutyl)phenol
PubChem CID115018738
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(1-amino-3,3-dimethylcyclobutyl)phenol
SMILESCC1(C)CC(N)(c2ccc(O)cc2)C1
InChIInChI=1S/C12H17NO/c1-11(2)7-12(13,8-11)9-3-5-10(14)6-4-9/h3-6,14H,7-8,13H2,1-2H3
InChIKeyCPUGQCGFDNMOBH-UHFFFAOYSA-N
XLogP2.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3,3-dimethylcyclobutan-1-amine
CID 65000826
3,3-dimethyl-1-pyridin-4-ylcyclobutan-1-amine
CID 80524018
3,3,5,5-tetramethyl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine
CID 103961176
4-(1-aminocyclopent-3-en-1-yl)phenol
CID 115063014
4-(1-amino-3-fluorocyclobutyl)phenol
CID 105439372
3,3,5,5-tetramethyl-1-(6-methyl-3-pyridinyl)cyclohexan-1-amine
CID 103961175
4-[(2R)-2-amino-1-methylcyclopropyl]phenol
CID 105432218
3-fluoro-1-(4-fluorophenyl)-3-methylcyclobutan-1-amine
CID 115020964
3,3-dimethyl-1-(4-phenylphenyl)cyclopentan-1-amine
CID 80692373
3-(1-amino-3-hydroxy-3-methylcyclobutyl)phenol
CID 115019423
4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol
CID 80693061
4-[1-(aminomethyl)-3-hydroxy-3-methylcyclopentyl]phenol
CID 115032763

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3,3-dimethylcyclobutyl)phenol?
The IUPAC name of 4-(1-amino-3,3-dimethylcyclobutyl)phenol (CID 115018738) is 4-(1-amino-3,3-dimethylcyclobutyl)phenol.
What is the SMILES notation for 4-(1-amino-3,3-dimethylcyclobutyl)phenol?
The canonical SMILES for 4-(1-amino-3,3-dimethylcyclobutyl)phenol is CC1(C)CC(N)(c2ccc(O)cc2)C1.
What is the InChIKey of 4-(1-amino-3,3-dimethylcyclobutyl)phenol?
The InChIKey is CPUGQCGFDNMOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-11(2)7-12(13,8-11)9-3-5-10(14)6-4-9/h3-6,14H,7-8,13H2,1-2H3.
What are the key properties of 4-(1-amino-3,3-dimethylcyclobutyl)phenol?
4-(1-amino-3,3-dimethylcyclobutyl)phenol has a molecular weight of 191.27 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-3,3-dimethylcyclobutyl)phenol is sourced from PubChem (CID 115018738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).