(1S)-1-(2,6-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride

C11H16Cl3N — CID 171217454

IUPAC(1S)-1-(2,6-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@H](N)c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C11H15Cl2N.ClH/c1-3-7(2)11(14)10-8(12)5-4-6-9(10)13;/h4-7,11H,3,14H2,1-2H3;1H/t7?,11-;/m0./s1
InChIKeySKWKNKFISNKBAA-LFMNOWIXSA-N
MW268.62 g/mol
LogP4.46
Rot. Bonds3

About (1S)-1-(2,6-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride

(1S)-1-(2,6-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride (PubChem CID 171217454) has the molecular formula C11H16Cl3N and a molecular weight of 268.62 g/mol. Its IUPAC name is (1S)-1-(2,6-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2,6-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
PubChem CID171217454
Molecular FormulaC11H16Cl3N
Molecular Weight268.62 g/mol
Exact Mass267.03
IUPAC Name(1S)-1-(2,6-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@H](N)c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C11H15Cl2N.ClH/c1-3-7(2)11(14)10-8(12)5-4-6-9(10)13;/h4-7,11H,3,14H2,1-2H3;1H/t7?,11-;/m0./s1
InChIKeySKWKNKFISNKBAA-LFMNOWIXSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1R,2S)-1-amino-2-hydroxy-3-methylpentyl]-6-chlorophenol;hydrochloride
CID 171262416
(1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313419
(1S)-1-(2,6-dichlorophenyl)butan-1-amine;hydrochloride
CID 171217430
(1S)-1-(3,4-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171220910
(1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine
CID 130739555
(1S)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171228872
2-[(1S)-1-aminopropyl]-3-chlorophenol
CID 55254925
1-(2-chloro-6-ethoxyphenyl)ethanamine
CID 130164060
[1-(2-chloro-6-fluorophenyl)-2-methylbutyl]hydrazine
CID 105325664
1-(2,6-dichlorophenyl)butan-1-amine
CID 112693515
(1S)-1-(2,6-dichlorophenyl)butan-1-amine
CID 130714755
(1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol
CID 130692242

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,6-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(2,6-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride (CID 171217454) is (1S)-1-(2,6-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(2,6-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(2,6-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride is CCC(C)[C@H](N)c1c(Cl)cccc1Cl.Cl.
What is the InChIKey of (1S)-1-(2,6-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride?
The InChIKey is SKWKNKFISNKBAA-LFMNOWIXSA-N. The full InChI is InChI=1S/C11H15Cl2N.ClH/c1-3-7(2)11(14)10-8(12)5-4-6-9(10)13;/h4-7,11H,3,14H2,1-2H3;1H/t7?,11-;/m0./s1.
What are the key properties of (1S)-1-(2,6-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride?
(1S)-1-(2,6-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride has a molecular weight of 268.62 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,6-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171217454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).