2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol

C12H17Cl2NO — CID 65317553

IUPAC2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-3-12(2,8-16)15-7-9-6-10(13)4-5-11(9)14/h4-6,15-16H,3,7-8H2,1-2H3
InChIKeyGYOQGSKPUYDIMN-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.24
Rot. Bonds5

About 2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol

2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol (PubChem CID 65317553) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol
PubChem CID65317553
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-3-12(2,8-16)15-7-9-6-10(13)4-5-11(9)14/h4-6,15-16H,3,7-8H2,1-2H3
InChIKeyGYOQGSKPUYDIMN-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,3-diol
CID 102609433
2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 81145012
2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol
CID 64551186
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine
CID 106328237
2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol
CID 111466606
2-[(2-bromo-5-chlorophenyl)methylamino]-2-ethylbutan-1-ol
CID 66160950
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylbutan-2-amine
CID 115762196
(2R)-2-[(2,5-dichlorophenyl)methylamino]butan-1-ol
CID 96919096
1-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpentan-3-amine
CID 106167289
2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-5-methoxyphenol
CID 64549738
3-fluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]benzamide
CID 64549762
N-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine
CID 114616826

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol (CID 65317553) is 2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol is CCC(C)(CO)NCc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol?
The InChIKey is GYOQGSKPUYDIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-3-12(2,8-16)15-7-9-6-10(13)4-5-11(9)14/h4-6,15-16H,3,7-8H2,1-2H3.
What are the key properties of 2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol?
2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol has a molecular weight of 262.18 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol is sourced from PubChem (CID 65317553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).