1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol

C12H17Cl2NO — CID 115630633

IUPAC1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNCc1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-8(2)12(16)7-15-6-9-10(13)4-3-5-11(9)14/h3-5,8,12,15-16H,6-7H2,1-2H3
InChIKeyPZELNVWKPZTBSF-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.10
Rot. Bonds5

About 1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol

1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol (PubChem CID 115630633) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol
PubChem CID115630633
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNCc1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-8(2)12(16)7-15-6-9-10(13)4-3-5-11(9)14/h3-5,8,12,15-16H,6-7H2,1-2H3
InChIKeyPZELNVWKPZTBSF-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenol
CID 103731573
(2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol
CID 96921213
3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 65037486
4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089888
1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43109817
(2S)-4-[(2,6-dichlorophenyl)methylamino]butan-2-ol
CID 96500104
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115754918
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763904
1-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-2-ol
CID 111755606
3-[(2,6-dichlorophenyl)methylamino]-2-hydroxypropanamide
CID 106170892

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol?
The IUPAC name of 1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol (CID 115630633) is 1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol is CC(C)C(O)CNCc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol?
The InChIKey is PZELNVWKPZTBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-8(2)12(16)7-15-6-9-10(13)4-3-5-11(9)14/h3-5,8,12,15-16H,6-7H2,1-2H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol?
1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol has a molecular weight of 262.18 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol is sourced from PubChem (CID 115630633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).