5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol

C12H16ClNO — CID 84790699

IUPAC5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol
SMILESNCC1(c2ccc(Cl)c(O)c2)CCCC1
InChIInChI=1S/C12H16ClNO/c13-10-4-3-9(7-11(10)15)12(8-14)5-1-2-6-12/h3-4,7,15H,1-2,5-6,8,14H2
InChIKeyTXCULCFGDARDLO-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.82
Rot. Bonds2

About 5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol

5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol (PubChem CID 84790699) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol.

Molecular Properties

Compound Name5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol
PubChem CID84790699
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol
SMILESNCC1(c2ccc(Cl)c(O)c2)CCCC1
InChIInChI=1S/C12H16ClNO/c13-10-4-3-9(7-11(10)15)12(8-14)5-1-2-6-12/h3-4,7,15H,1-2,5-6,8,14H2
InChIKeyTXCULCFGDARDLO-UHFFFAOYSA-N
XLogP2.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(aminomethyl)cyclopentyl]-3-chloro-2-fluorophenol
CID 84802259
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
[1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine
CID 83735493
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol
CID 84800194
[1-(3-chloro-4-ethoxyphenyl)cyclopentyl]methanamine
CID 82499574
5-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylphenol
CID 117391532
2-chloro-5-(1-hydroxycyclopropyl)phenol
CID 84769519
2-[1-(aminomethyl)cyclopentyl]-5-chlorophenol
CID 131279076

Frequently Asked Questions

What is the IUPAC name of 5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol?
The IUPAC name of 5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol (CID 84790699) is 5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol.
What is the SMILES notation for 5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol?
The canonical SMILES for 5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol is NCC1(c2ccc(Cl)c(O)c2)CCCC1.
What is the InChIKey of 5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol?
The InChIKey is TXCULCFGDARDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-10-4-3-9(7-11(10)15)12(8-14)5-1-2-6-12/h3-4,7,15H,1-2,5-6,8,14H2.
What are the key properties of 5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol?
5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol has a molecular weight of 225.72 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol is sourced from PubChem (CID 84790699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).