2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol

C12H16ClNO2 — CID 115907651

IUPAC2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
SMILESOc1c(Cl)cccc1CNC1CCCC1O
InChIInChI=1S/C12H16ClNO2/c13-9-4-1-3-8(12(9)16)7-14-10-5-2-6-11(10)15/h1,3-4,10-11,14-16H,2,5-7H2
InChIKeyTXHYCQYKGKNNBX-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.05
Rot. Bonds3

About 2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol

2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol (PubChem CID 115907651) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
PubChem CID115907651
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
SMILESOc1c(Cl)cccc1CNC1CCCC1O
InChIInChI=1S/C12H16ClNO2/c13-9-4-1-3-8(12(9)16)7-14-10-5-2-6-11(10)15/h1,3-4,10-11,14-16H,2,5-7H2
InChIKeyTXHYCQYKGKNNBX-UHFFFAOYSA-N
XLogP2.05
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol
CID 113352464
2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 60612644
2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol
CID 102734194
2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 55063698
2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 103923196
2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol
CID 113394671
2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
2-[(2-fluorophenyl)methylamino]cyclopentan-1-ol
CID 60713458
2-[[(2-hydroxycyclopentyl)amino]methyl]benzonitrile
CID 115768010
2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 112554031
2-[[[(2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
CID 138615280
2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
CID 115908319

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol (CID 115907651) is 2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol is Oc1c(Cl)cccc1CNC1CCCC1O.
What is the InChIKey of 2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol?
The InChIKey is TXHYCQYKGKNNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c13-9-4-1-3-8(12(9)16)7-14-10-5-2-6-11(10)15/h1,3-4,10-11,14-16H,2,5-7H2.
What are the key properties of 2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol?
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol has a molecular weight of 241.72 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol is sourced from PubChem (CID 115907651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).