4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol

C12H17Cl2NO — CID 66089888

IUPAC4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNCc1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-9(5-6-16)7-15-8-10-11(13)3-2-4-12(10)14/h2-4,9,15-16H,5-8H2,1H3
InChIKeyDBJACFNCNFSYCQ-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.10
Rot. Bonds6

About 4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol

4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol (PubChem CID 66089888) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol
PubChem CID66089888
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNCc1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-9(5-6-16)7-15-8-10-11(13)3-2-4-12(10)14/h2-4,9,15-16H,5-8H2,1H3
InChIKeyDBJACFNCNFSYCQ-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 65037486
4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089910
1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol
CID 115630633
(2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol
CID 96921213
2-methyl-3-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol
CID 78971612
4-[(4-bromo-3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 103581768
(2S)-4-[(2,6-dichlorophenyl)methylamino]butan-2-ol
CID 96500104
4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 111469660
4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylamino]-3-methylbutan-1-ol
CID 111469653
N-(2-chlorophenyl)-2-[(4-hydroxy-2-methylbutyl)amino]acetamide
CID 66089065
N-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981738
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol (CID 66089888) is 4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol is CC(CCO)CNCc1c(Cl)cccc1Cl.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol?
The InChIKey is DBJACFNCNFSYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-9(5-6-16)7-15-8-10-11(13)3-2-4-12(10)14/h2-4,9,15-16H,5-8H2,1H3.
What are the key properties of 4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol?
4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol has a molecular weight of 262.18 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 66089888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).