3-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol

C13H18ClNO2 — CID 82977771

IUPAC3-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol
SMILESCN(Cc1c(O)cccc1Cl)C1CCOCC1
InChIInChI=1S/C13H18ClNO2/c1-15(10-5-7-17-8-6-10)9-11-12(14)3-2-4-13(11)16/h2-4,10,16H,5-9H2,1H3
InChIKeyOMBZLTJBYPLKDE-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.66
Rot. Bonds3

About 3-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol

3-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol (PubChem CID 82977771) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 3-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol
PubChem CID82977771
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name3-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol
SMILESCN(Cc1c(O)cccc1Cl)C1CCOCC1
InChIInChI=1S/C13H18ClNO2/c1-15(10-5-7-17-8-6-10)9-11-12(14)3-2-4-13(11)16/h2-4,10,16H,5-9H2,1H3
InChIKeyOMBZLTJBYPLKDE-UHFFFAOYSA-N
XLogP2.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 114321079
4-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 82977579
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 79118637
N-[2-(2-aminoethyl)-3-chlorophenyl]-N-methyloxan-4-amine
CID 63782228
3-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82981120
3-chloro-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103768982
2-[[[2-(aminomethyl)cyclohexyl]-methylamino]methyl]-3-chlorophenol
CID 114321103
2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 82977675
1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
CID 111565238
3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 55241864
3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol
CID 113277030
3-chloro-2-[[cyclopentyl(3-methylbutyl)amino]methyl]phenol
CID 82982839

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol?
The IUPAC name of 3-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol (CID 82977771) is 3-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol.
What is the SMILES notation for 3-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol?
The canonical SMILES for 3-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol is CN(Cc1c(O)cccc1Cl)C1CCOCC1.
What is the InChIKey of 3-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol?
The InChIKey is OMBZLTJBYPLKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-15(10-5-7-17-8-6-10)9-11-12(14)3-2-4-13(11)16/h2-4,10,16H,5-9H2,1H3.
What are the key properties of 3-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol?
3-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol has a molecular weight of 255.74 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol is sourced from PubChem (CID 82977771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).