2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol

C13H18ClNO2 — CID 113352464

IUPAC2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol
SMILESOCC1CCCC1NCc1cccc(Cl)c1O
InChIInChI=1S/C13H18ClNO2/c14-11-5-1-3-9(13(11)17)7-15-12-6-2-4-10(12)8-16/h1,3,5,10,12,15-17H,2,4,6-8H2
InChIKeyHXOGOIWENGJJHR-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.30
Rot. Bonds4

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

2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol (PubChem CID 113352464) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol
PubChem CID113352464
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol
SMILESOCC1CCCC1NCc1cccc(Cl)c1O
InChIInChI=1S/C13H18ClNO2/c14-11-5-1-3-9(13(11)17)7-15-12-6-2-4-10(12)8-16/h1,3,5,10,12,15-17H,2,4,6-8H2
InChIKeyHXOGOIWENGJJHR-UHFFFAOYSA-N
XLogP2.30
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.30
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

3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol
CID 113357915
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
CID 115907651
[2-[(2-aminophenyl)methylamino]cyclopentyl]methanol
CID 106359504
2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 103923196
[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol
CID 103700403
2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 112554031
[2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol
CID 103700313
1-(2-chlorophenyl)-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 106360636
[2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 106361157
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-(hydroxymethyl)cyclopentyl]amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol (CID 113352464) is 2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol is OCC1CCCC1NCc1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol?
The InChIKey is HXOGOIWENGJJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c14-11-5-1-3-9(13(11)17)7-15-12-6-2-4-10(12)8-16/h1,3,5,10,12,15-17H,2,4,6-8H2.
What are the key properties of 2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol?
2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol has a molecular weight of 255.74 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol is sourced from PubChem (CID 113352464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).