2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol

C13H18ClNO2 — CID 112554056

IUPAC2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
SMILESOc1c(Cl)cccc1CNCCC1CCCO1
InChIInChI=1S/C13H18ClNO2/c14-12-5-1-3-10(13(12)16)9-15-7-6-11-4-2-8-17-11/h1,3,5,11,15-16H,2,4,6-9H2
InChIKeyJLDCHNCQTPDFQQ-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.70
Rot. Bonds5

About 2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol

2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol (PubChem CID 112554056) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
PubChem CID112554056
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
SMILESOc1c(Cl)cccc1CNCCC1CCCO1
InChIInChI=1S/C13H18ClNO2/c14-12-5-1-3-10(13(12)16)9-15-7-6-11-4-2-8-17-11/h1,3,5,11,15-16H,2,4,6-9H2
InChIKeyJLDCHNCQTPDFQQ-UHFFFAOYSA-N
XLogP2.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-6-[[2-(oxolan-2-yl)ethylamino]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

N-[(4-bromo-2-chlorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115652022
2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol
CID 114136728
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115634821
N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458212
2-(oxolan-2-yl)-N-[(2,3,6-trichlorophenyl)methyl]ethanamine
CID 113222754
4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 55205702
N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43182486
N-[(2-chloro-4-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362834
4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 103948092
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(oxolan-2-yl)ethanamine
CID 80648716
2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol
CID 112554358
N-[(2-bromo-3-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 114135964

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol (CID 112554056) is 2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol is Oc1c(Cl)cccc1CNCCC1CCCO1.
What is the InChIKey of 2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol?
The InChIKey is JLDCHNCQTPDFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c14-12-5-1-3-10(13(12)16)9-15-7-6-11-4-2-8-17-11/h1,3,5,11,15-16H,2,4,6-9H2.
What are the key properties of 2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol?
2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol has a molecular weight of 255.74 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 112554056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).