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

C16H24ClNO — CID 117452788

IUPAC2-[1-(aminomethyl)cyclopentyl]-6-tert-butyl-4-chlorophenol
SMILESCC(C)(C)c1cc(Cl)cc(C2(CN)CCCC2)c1O
InChIInChI=1S/C16H24ClNO/c1-15(2,3)12-8-11(17)9-13(14(12)19)16(10-18)6-4-5-7-16/h8-9,19H,4-7,10,18H2,1-3H3
InChIKeyRWHUDGHCARWUDZ-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.11
Rot. Bonds2

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

2-[1-(aminomethyl)cyclopentyl]-6-tert-butyl-4-chlorophenol (PubChem CID 117452788) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-6-tert-butyl-4-chlorophenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-6-tert-butyl-4-chlorophenol
PubChem CID117452788
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-6-tert-butyl-4-chlorophenol
SMILESCC(C)(C)c1cc(Cl)cc(C2(CN)CCCC2)c1O
InChIInChI=1S/C16H24ClNO/c1-15(2,3)12-8-11(17)9-13(14(12)19)16(10-18)6-4-5-7-16/h8-9,19H,4-7,10,18H2,1-3H3
InChIKeyRWHUDGHCARWUDZ-UHFFFAOYSA-N
XLogP4.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol
CID 117423583
2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-(trifluoromethyl)phenol
CID 117448625
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol
CID 117356716
2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol
CID 84802258
2-[1-(aminomethyl)cyclopentyl]-5-chlorophenol
CID 131279076
2-[1-(aminomethyl)cyclobutyl]-6-(trifluoromethyl)benzene-1,4-diol
CID 117406723
3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol
CID 117352123
4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol
CID 117339002
4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol
CID 117113307
[1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine
CID 117404130
[1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117423578

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-6-tert-butyl-4-chlorophenol?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-6-tert-butyl-4-chlorophenol (CID 117452788) is 2-[1-(aminomethyl)cyclopentyl]-6-tert-butyl-4-chlorophenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-6-tert-butyl-4-chlorophenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-6-tert-butyl-4-chlorophenol is CC(C)(C)c1cc(Cl)cc(C2(CN)CCCC2)c1O.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-6-tert-butyl-4-chlorophenol?
The InChIKey is RWHUDGHCARWUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-15(2,3)12-8-11(17)9-13(14(12)19)16(10-18)6-4-5-7-16/h8-9,19H,4-7,10,18H2,1-3H3.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]-6-tert-butyl-4-chlorophenol?
2-[1-(aminomethyl)cyclopentyl]-6-tert-butyl-4-chlorophenol has a molecular weight of 281.83 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]-6-tert-butyl-4-chlorophenol is sourced from PubChem (CID 117452788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).