3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol

C13H18ClNO2 — CID 78960288

IUPAC3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
SMILESOc1cccc(Cl)c1CNCC1(O)CCCC1
InChIInChI=1S/C13H18ClNO2/c14-11-4-3-5-12(16)10(11)8-15-9-13(17)6-1-2-7-13/h3-5,15-17H,1-2,6-9H2
InChIKeyZYZCDXCENYFQQC-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.44
Rot. Bonds4

About 3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol

3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol (PubChem CID 78960288) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
PubChem CID78960288
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
SMILESOc1cccc(Cl)c1CNCC1(O)CCCC1
InChIInChI=1S/C13H18ClNO2/c14-11-4-3-5-12(16)10(11)8-15-9-13(17)6-1-2-7-13/h3-5,15-17H,1-2,6-9H2
InChIKeyZYZCDXCENYFQQC-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenol
CID 78960594
3-chloro-2-[[(1-methylcyclobutyl)methylamino]methyl]phenol
CID 103735921
3-chloro-2-[[(1-methylcyclopropyl)methylamino]methyl]phenol
CID 103724323
1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopentan-1-ol
CID 65111747
3-chloro-2-[[(1-methylsulfanylcyclopropyl)methylamino]methyl]phenol
CID 107267317
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine
CID 113359870
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293557
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965941
3-chloro-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]phenol
CID 103802319
2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
CID 115625698
2-chloro-6-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol
CID 115951704
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol?
The IUPAC name of 3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol (CID 78960288) is 3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol.
What is the SMILES notation for 3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol?
The canonical SMILES for 3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol is Oc1cccc(Cl)c1CNCC1(O)CCCC1.
What is the InChIKey of 3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol?
The InChIKey is ZYZCDXCENYFQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c14-11-4-3-5-12(16)10(11)8-15-9-13(17)6-1-2-7-13/h3-5,15-17H,1-2,6-9H2.
What are the key properties of 3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol?
3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol has a molecular weight of 255.74 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol is sourced from PubChem (CID 78960288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).