2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol

C15H22ClNO — CID 117423583

IUPAC2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol
SMILESCC(C)(C)c1cc(Cl)cc(C2(CN)CCC2)c1O
InChIInChI=1S/C15H22ClNO/c1-14(2,3)11-7-10(16)8-12(13(11)18)15(9-17)5-4-6-15/h7-8,18H,4-6,9,17H2,1-3H3
InChIKeyJONPRVUQIBPXGM-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.72
Rot. Bonds2

About 2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol

2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol (PubChem CID 117423583) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol
PubChem CID117423583
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol
SMILESCC(C)(C)c1cc(Cl)cc(C2(CN)CCC2)c1O
InChIInChI=1S/C15H22ClNO/c1-14(2,3)11-7-10(16)8-12(13(11)18)15(9-17)5-4-6-15/h7-8,18H,4-6,9,17H2,1-3H3
InChIKeyJONPRVUQIBPXGM-UHFFFAOYSA-N
XLogP3.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]-6-tert-butyl-4-chlorophenol
CID 117452788
2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-(trifluoromethyl)phenol
CID 117448625
2-[1-(aminomethyl)cyclobutyl]-6-(trifluoromethyl)benzene-1,4-diol
CID 117406723
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol
CID 117356716
[1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine
CID 117404130
[1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117423578
3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol
CID 117324591
2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol
CID 84802258
[1-(5-chloro-2-ethylphenyl)cyclobutyl]methanamine
CID 117321165
4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol
CID 117339002
[1-(5-chloro-2-methylsulfonylphenyl)cyclobutyl]methanamine
CID 117437284

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol (CID 117423583) is 2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol is CC(C)(C)c1cc(Cl)cc(C2(CN)CCC2)c1O.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol?
The InChIKey is JONPRVUQIBPXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-14(2,3)11-7-10(16)8-12(13(11)18)15(9-17)5-4-6-15/h7-8,18H,4-6,9,17H2,1-3H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol?
2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol has a molecular weight of 267.80 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol is sourced from PubChem (CID 117423583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).