2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol

C12H14ClNO — CID 115908319

IUPAC2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
SMILESOc1c(Cl)cccc1CNC1CC=CC1
InChIInChI=1S/C12H14ClNO/c13-11-7-3-4-9(12(11)15)8-14-10-5-1-2-6-10/h1-4,7,10,14-15H,5-6,8H2
InChIKeyLREZSIWADWPNRG-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.85
Rot. Bonds3

About 2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol

2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol (PubChem CID 115908319) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
PubChem CID115908319
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
SMILESOc1c(Cl)cccc1CNC1CC=CC1
InChIInChI=1S/C12H14ClNO/c13-11-7-3-4-9(12(11)15)8-14-10-5-1-2-6-10/h1-4,7,10,14-15H,5-6,8H2
InChIKeyLREZSIWADWPNRG-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
CID 115696332
N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine
CID 115696357
2-chloro-6-[(oxolan-3-ylamino)methyl]phenol
CID 112554992
2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 103965690
2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol
CID 112606932
2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 112554031
2-chloro-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 112554706
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
CID 115907651
(1R,5S)-5-[(3-chloro-2-hydroxyphenyl)methylamino]cyclohex-3-ene-1-carboxylic acid
CID 166267737
2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol
CID 112554896
2-chloro-6-(methylaminomethyl)phenol;hydrochloride
CID 135396200
N-[(3-chloro-2-fluorophenyl)methyl]cyclohex-3-en-1-amine
CID 115696005

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol?
The IUPAC name of 2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol (CID 115908319) is 2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol?
The canonical SMILES for 2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol is Oc1c(Cl)cccc1CNC1CC=CC1.
What is the InChIKey of 2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol?
The InChIKey is LREZSIWADWPNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-11-7-3-4-9(12(11)15)8-14-10-5-1-2-6-10/h1-4,7,10,14-15H,5-6,8H2.
What are the key properties of 2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol?
2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol has a molecular weight of 223.70 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol is sourced from PubChem (CID 115908319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).