2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol

C12H17Cl2NO2 — CID 115655729

IUPAC2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol
SMILESCCOC(C)CNCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H17Cl2NO2/c1-3-17-8(2)6-15-7-9-4-10(13)5-11(14)12(9)16/h4-5,8,15-16H,3,6-7H2,1-2H3
InChIKeyHRXDLHFGXUMVGW-UHFFFAOYSA-N
MW278.18 g/mol
LogP3.21
Rot. Bonds6

About 2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol

2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol (PubChem CID 115655729) has the molecular formula C12H17Cl2NO2 and a molecular weight of 278.18 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol
PubChem CID115655729
Molecular FormulaC12H17Cl2NO2
Molecular Weight278.18 g/mol
Exact Mass277.06
IUPAC Name2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol
SMILESCCOC(C)CNCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H17Cl2NO2/c1-3-17-8(2)6-15-7-9-4-10(13)5-11(14)12(9)16/h4-5,8,15-16H,3,6-7H2,1-2H3
InChIKeyHRXDLHFGXUMVGW-UHFFFAOYSA-N
XLogP3.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 53.21
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

2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol
CID 62693693
2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 78916433
2,4-dichloro-6-[(ethoxyamino)methyl]phenol
CID 82710474
3-chloro-4-[(2-ethoxypropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667458
2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol
CID 82709104
4-bromo-2-[(2-ethoxypropylamino)methyl]phenol
CID 115655656
N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine
CID 115655535
N-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine
CID 115696018
acetic acid;2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 70616535
2-[(2-ethoxypropylamino)methyl]-5-methoxyphenol
CID 115655741
2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol
CID 115655699
methyl 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanoate
CID 60780743

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol (CID 115655729) is 2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol is CCOC(C)CNCc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol?
The InChIKey is HRXDLHFGXUMVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2/c1-3-17-8(2)6-15-7-9-4-10(13)5-11(14)12(9)16/h4-5,8,15-16H,3,6-7H2,1-2H3.
What are the key properties of 2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol?
2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol has a molecular weight of 278.18 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol is sourced from PubChem (CID 115655729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).