2-chloro-6-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenol

C12H18ClNO2 — CID 115903812

IUPAC2-chloro-6-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenol
SMILESCC(C)N(CCO)Cc1cccc(Cl)c1O
InChIInChI=1S/C12H18ClNO2/c1-9(2)14(6-7-15)8-10-4-3-5-11(13)12(10)16/h3-5,9,15-16H,6-8H2,1-2H3
InChIKeyAKACCQVKBFHPJP-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.25
Rot. Bonds5

About 2-chloro-6-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenol

2-chloro-6-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenol (PubChem CID 115903812) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-chloro-6-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenol
PubChem CID115903812
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-chloro-6-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenol
SMILESCC(C)N(CCO)Cc1cccc(Cl)c1O
InChIInChI=1S/C12H18ClNO2/c1-9(2)14(6-7-15)8-10-4-3-5-11(13)12(10)16/h3-5,9,15-16H,6-8H2,1-2H3
InChIKeyAKACCQVKBFHPJP-UHFFFAOYSA-N
XLogP2.25
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.25
H-Bond Donors ≤ 52
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-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenol
CID 112616395
2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-6-methylphenol
CID 115903809
2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol
CID 112553496
N-(2-bromoethyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 107310022
3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]propanoic acid
CID 65057352
2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 113453837
2-chloro-6-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 112553470
2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol
CID 62022111
2-chloro-6-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
CID 112553488
3-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-N-propan-2-ylpropan-1-amine
CID 102859696
3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 107306583
2-[[2-(methylamino)-3-pyridinyl]methyl-propan-2-ylamino]ethanol
CID 62464699

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenol (CID 115903812) is 2-chloro-6-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenol is CC(C)N(CCO)Cc1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenol?
The InChIKey is AKACCQVKBFHPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-9(2)14(6-7-15)8-10-4-3-5-11(13)12(10)16/h3-5,9,15-16H,6-8H2,1-2H3.
What are the key properties of 2-chloro-6-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenol?
2-chloro-6-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenol has a molecular weight of 243.73 g/mol, XLogP of 2.25, 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-hydroxyethyl(propan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 115903812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).