2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol

C12H17Cl2NO — CID 115216577

IUPAC2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol
SMILESCC(C)(CNCCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-12(2,8-15-5-6-16)9-3-4-10(13)11(14)7-9/h3-4,7,15-16H,5-6,8H2,1-2H3
InChIKeyLTONYLMYKPIJAO-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.85
Rot. Bonds5

About 2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol

2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol (PubChem CID 115216577) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol
PubChem CID115216577
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol
SMILESCC(C)(CNCCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-12(2,8-15-5-6-16)9-3-4-10(13)11(14)7-9/h3-4,7,15-16H,5-6,8H2,1-2H3
InChIKeyLTONYLMYKPIJAO-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol
CID 29938807
1-(1-(3,4-Dichlorophenyl)cyclohexyl)-n-methylmethanamine
CID 51346818
N-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)ethanamine
CID 53322397
1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylethanamine
CID 53323814
2-[(3R)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol
CID 68653619
[4-(3,4-Dichlorophenyl)azepan-4-yl]methanol;hydrochloride
CID 122181784
(1R)-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-(4-ethoxybutyl)-3-methylbutan-1-amine
CID 71600027
Benzylamine, 3,4-dichloro-N-(2-ethoxyethyl)-
CID 52318
1-Propanol, 2-(3,4-dichlorobenzylamino)-2-methyl-
CID 99360
2-[(3R)-3-(3,4-dichlorophenyl)-2,3,4,7-tetrahydroazepin-1-yl]ethanol
CID 71541096
(3R)-3-(3,4-dichlorophenyl)-1-(2-methoxyethyl)-2,3,4,7-tetrahydroazepine
CID 71541097
2-[(3S)-3-(3,4-dichlorophenyl)azepan-3-yl]ethanol
CID 71718185

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol?
The IUPAC name of 2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol (CID 115216577) is 2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol.
What is the SMILES notation for 2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol?
The canonical SMILES for 2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol is CC(C)(CNCCO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol?
The InChIKey is LTONYLMYKPIJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-12(2,8-15-5-6-16)9-3-4-10(13)11(14)7-9/h3-4,7,15-16H,5-6,8H2,1-2H3.
What are the key properties of 2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol?
2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol has a molecular weight of 262.18 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol is sourced from PubChem (CID 115216577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).