2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol

C12H16ClNO — CID 131368937

IUPAC2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
SMILESNCC1(c2cc(Cl)ccc2O)CCCC1
InChIInChI=1S/C12H16ClNO/c13-9-3-4-11(15)10(7-9)12(8-14)5-1-2-6-12/h3-4,7,15H,1-2,5-6,8,14H2
InChIKeyUZTORQZLMWCDHJ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.82
Rot. Bonds2

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

2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol (PubChem CID 131368937) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
PubChem CID131368937
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
SMILESNCC1(c2cc(Cl)ccc2O)CCCC1
InChIInChI=1S/C12H16ClNO/c13-9-3-4-11(15)10(7-9)12(8-14)5-1-2-6-12/h3-4,7,15H,1-2,5-6,8,14H2
InChIKeyUZTORQZLMWCDHJ-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol (CID 131368937) is 2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol is NCC1(c2cc(Cl)ccc2O)CCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol?
The InChIKey is UZTORQZLMWCDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-9-3-4-11(15)10(7-9)12(8-14)5-1-2-6-12/h3-4,7,15H,1-2,5-6,8,14H2.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol?
2-[1-(aminomethyl)cyclopentyl]-4-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 2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol is sourced from PubChem (CID 131368937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).