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

C13H18ClNO2 — CID 103270835

IUPAC4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol
SMILESOc1ccc(Cl)cc1CNCC1CCC(O)C1
InChIInChI=1S/C13H18ClNO2/c14-11-2-4-13(17)10(6-11)8-15-7-9-1-3-12(16)5-9/h2,4,6,9,12,15-17H,1,3,5,7-8H2
InChIKeyKYQGWEAAYZBLKK-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.30
Rot. Bonds4

About 4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol

4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol (PubChem CID 103270835) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol
PubChem CID103270835
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol
SMILESOc1ccc(Cl)cc1CNCC1CCC(O)C1
InChIInChI=1S/C13H18ClNO2/c14-11-2-4-13(17)10(6-11)8-15-7-9-1-3-12(16)5-9/h2,4,6,9,12,15-17H,1,3,5,7-8H2
InChIKeyKYQGWEAAYZBLKK-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

4-chloro-2-[(cyclohexylmethylamino)methyl]phenol
CID 25163929
4-chloro-2-[[(2-hydroxycyclohexyl)methylamino]methyl]phenol
CID 64928657
3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699917
4-chloro-2-[[(1,1-dioxothiolan-3-yl)methylamino]methyl]phenol
CID 54915093
3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699903
4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147064
3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutan-1-ol
CID 66005122
3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270651
3-[[(2-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270976
3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-ol
CID 103050503
3-chloro-4-[[(3-hydroxycyclopentyl)methylamino]methyl]benzonitrile
CID 106129842
2-[(4-aminobutylamino)methyl]-4-chlorophenol
CID 60894703

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol?
The IUPAC name of 4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol (CID 103270835) is 4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol is Oc1ccc(Cl)cc1CNCC1CCC(O)C1.
What is the InChIKey of 4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol?
The InChIKey is KYQGWEAAYZBLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c14-11-2-4-13(17)10(6-11)8-15-7-9-1-3-12(16)5-9/h2,4,6,9,12,15-17H,1,3,5,7-8H2.
What are the key properties of 4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol?
4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]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 4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol is sourced from PubChem (CID 103270835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).