2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol

C11H15Cl2NO — CID 65188015

IUPAC2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol
SMILESCCC(CN)C(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-2-7(6-14)11(15)10-8(12)4-3-5-9(10)13/h3-5,7,11,15H,2,6,14H2,1H3
InChIKeyKKMZOTNNWSAERI-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.01
Rot. Bonds4

About 2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol

2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol (PubChem CID 65188015) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol
PubChem CID65188015
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol
SMILESCCC(CN)C(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-2-7(6-14)11(15)10-8(12)4-3-5-9(10)13/h3-5,7,11,15H,2,6,14H2,1H3
InChIKeyKKMZOTNNWSAERI-UHFFFAOYSA-N
XLogP3.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol
CID 170827623
2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol
CID 81262394
(1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol
CID 66633917
2-(aminomethyl)-1-(2-chloro-4-methylphenyl)butan-1-ol
CID 106864336
1-(2,6-dichlorophenyl)-3-sulfanylpropane-1,2-diol
CID 170819441
3-bromo-1-(2,6-dichlorophenyl)propane-1,2-diol
CID 171859547
diethyl 2-[(2,6-dichlorophenyl)-hydroxymethyl]propanedioate
CID 62393511
2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 65188070
2-(aminomethyl)-1-(5-chloro-2-methylphenyl)butan-1-ol
CID 82891206
2-(aminomethyl)-1-pyrimidin-2-ylbutan-1-ol
CID 114552994
2-[(1S)-1-aminopropyl]-3-chlorophenol
CID 55254925
1-(2,6-dichlorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 105013912

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol (CID 65188015) is 2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol is CCC(CN)C(O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol?
The InChIKey is KKMZOTNNWSAERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-2-7(6-14)11(15)10-8(12)4-3-5-9(10)13/h3-5,7,11,15H,2,6,14H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol?
2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol has a molecular weight of 248.15 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol is sourced from PubChem (CID 65188015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).