2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol

C14H20ClNO2 — CID 114146992

IUPAC2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol
SMILESOc1c(Cl)cccc1CNCC1CCC(O)CC1
InChIInChI=1S/C14H20ClNO2/c15-13-3-1-2-11(14(13)18)9-16-8-10-4-6-12(17)7-5-10/h1-3,10,12,16-18H,4-9H2
InChIKeyYWAAALDFUFXYEP-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.69
Rot. Bonds4

About 2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol

2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol (PubChem CID 114146992) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol
PubChem CID114146992
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol
SMILESOc1c(Cl)cccc1CNCC1CCC(O)CC1
InChIInChI=1S/C14H20ClNO2/c15-13-3-1-2-11(14(13)18)9-16-8-10-4-6-12(17)7-5-10/h1-3,10,12,16-18H,4-9H2
InChIKeyYWAAALDFUFXYEP-UHFFFAOYSA-N
XLogP2.69
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.69
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-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107412029
2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol
CID 112554095
3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270651
4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147038
3-[[(4-ethylcyclohexyl)methylamino]methyl]benzene-1,2-diol
CID 61317881
2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol
CID 114136728
2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol
CID 112554358
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
CID 115907651
4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 106125391
4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 106124800
4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147064
2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 112554056

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol (CID 114146992) is 2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol is Oc1c(Cl)cccc1CNCC1CCC(O)CC1.
What is the InChIKey of 2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol?
The InChIKey is YWAAALDFUFXYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c15-13-3-1-2-11(14(13)18)9-16-8-10-4-6-12(17)7-5-10/h1-3,10,12,16-18H,4-9H2.
What are the key properties of 2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol?
2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol has a molecular weight of 269.77 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol is sourced from PubChem (CID 114146992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).