2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol

C13H19Cl2NO — CID 62523478

IUPAC2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2NO/c1-3-13(4-2,9-17)16-8-10-6-5-7-11(14)12(10)15/h5-7,16-17H,3-4,8-9H2,1-2H3
InChIKeyQVWLTMIMYAVZOV-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.63
Rot. Bonds6

About 2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol

2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol (PubChem CID 62523478) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol
PubChem CID62523478
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2NO/c1-3-13(4-2,9-17)16-8-10-6-5-7-11(14)12(10)15/h5-7,16-17H,3-4,8-9H2,1-2H3
InChIKeyQVWLTMIMYAVZOV-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17293607
2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol
CID 62517659
2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide
CID 61219594
2-[(2-chloro-6-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol
CID 107865058
2-[(2-bromo-5-chlorophenyl)methylamino]-2-ethylbutan-1-ol
CID 66160950
(2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol
CID 40726436
2-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 103933703
2-[(2-chloro-4-nitrophenyl)methylamino]-2-ethylbutan-1-ol
CID 55082634
2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517459
2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide
CID 107865413
3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol
CID 115644707
methyl 2-[2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]phenyl]acetate
CID 107865394

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol (CID 62523478) is 2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol is CCC(CC)(CO)NCc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol?
The InChIKey is QVWLTMIMYAVZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-3-13(4-2,9-17)16-8-10-6-5-7-11(14)12(10)15/h5-7,16-17H,3-4,8-9H2,1-2H3.
What are the key properties of 2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol?
2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol has a molecular weight of 276.21 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol is sourced from PubChem (CID 62523478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).