2-chloro-6-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]phenol

C13H21ClN2O2 — CID 112554421

IUPAC2-chloro-6-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]phenol
SMILESCOCCN(C)CCNCc1cccc(Cl)c1O
InChIInChI=1S/C13H21ClN2O2/c1-16(8-9-18-2)7-6-15-10-11-4-3-5-12(14)13(11)17/h3-5,15,17H,6-10H2,1-2H3
InChIKeyCUHUOXCKVKHPRR-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.71
Rot. Bonds8

About 2-chloro-6-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]phenol

2-chloro-6-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]phenol (PubChem CID 112554421) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-chloro-6-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]phenol
PubChem CID112554421
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name2-chloro-6-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]phenol
SMILESCOCCN(C)CCNCc1cccc(Cl)c1O
InChIInChI=1S/C13H21ClN2O2/c1-16(8-9-18-2)7-6-15-10-11-4-3-5-12(14)13(11)17/h3-5,15,17H,6-10H2,1-2H3
InChIKeyCUHUOXCKVKHPRR-UHFFFAOYSA-N
XLogP1.71
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844818
2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 112554690
N-[(2-fluoro-3-methoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 104791785
4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzene-1,3-diol
CID 62842890
N-[(2-ethoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844288
2-(2,3-dichlorophenyl)-N-(2-methoxyethyl)-N-methylethanamine
CID 167249778
2-chloro-6-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenol
CID 112616395
3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide
CID 112554135
2-chloro-6-[(3-phenoxypropylamino)methyl]phenol
CID 115904573
N'-(2-methoxyethyl)-N'-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62844290
N-[(4-bromo-3-chlorophenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103581662
N-(2-chlorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]acetamide
CID 62843980

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]phenol (CID 112554421) is 2-chloro-6-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]phenol is COCCN(C)CCNCc1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]phenol?
The InChIKey is CUHUOXCKVKHPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-16(8-9-18-2)7-6-15-10-11-4-3-5-12(14)13(11)17/h3-5,15,17H,6-10H2,1-2H3.
What are the key properties of 2-chloro-6-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]phenol?
2-chloro-6-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]phenol has a molecular weight of 272.78 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]phenol is sourced from PubChem (CID 112554421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).