(1R,2R)-1-(4-chloro-6-methyl-2-pyridinyl)-2-methylbutan-1-amine

C11H17ClN2 — CID 125488574

IUPAC(1R,2R)-1-(4-chloro-6-methyl-2-pyridinyl)-2-methylbutan-1-amine
SMILESCC[C@@H](C)[C@@H](N)c1cc(Cl)cc(C)n1
InChIInChI=1S/C11H17ClN2/c1-4-7(2)11(13)10-6-9(12)5-8(3)14-10/h5-7,11H,4,13H2,1-3H3/t7-,11-/m1/s1
InChIKeyRBNFAAKFORZMQG-RDDDGLTNSA-N
MW212.72 g/mol
LogP3.09
Rot. Bonds3

About (1R,2R)-1-(4-chloro-6-methyl-2-pyridinyl)-2-methylbutan-1-amine

(1R,2R)-1-(4-chloro-6-methyl-2-pyridinyl)-2-methylbutan-1-amine (PubChem CID 125488574) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is (1R,2R)-1-(4-chloro-6-methyl-2-pyridinyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name(1R,2R)-1-(4-chloro-6-methyl-2-pyridinyl)-2-methylbutan-1-amine
PubChem CID125488574
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name(1R,2R)-1-(4-chloro-6-methyl-2-pyridinyl)-2-methylbutan-1-amine
SMILESCC[C@@H](C)[C@@H](N)c1cc(Cl)cc(C)n1
InChIInChI=1S/C11H17ClN2/c1-4-7(2)11(13)10-6-9(12)5-8(3)14-10/h5-7,11H,4,13H2,1-3H3/t7-,11-/m1/s1
InChIKeyRBNFAAKFORZMQG-RDDDGLTNSA-N
XLogP3.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2S)-1-(4-chloro-6-methyl-2-pyridinyl)-2-methylbutyl]formamide
CID 125472948
1-(2,6-dimethyl-4-pyridinyl)-2-methylbutan-1-amine
CID 107503239
2-methyl-1-(5-methylpyrazin-2-yl)butan-1-amine
CID 105170576
1-(3-chloro-5-methylphenyl)-2-methylbutan-1-amine
CID 105017612
(4-chloro-6-methyl-2-pyridinyl)-cyclobutylmethanamine
CID 162341237
(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine
CID 130804178
(4-chloro-6-methyl-2-pyridinyl)methanamine
CID 55253198
(1S)-1-(3,4-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171220910
(1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine
CID 130835904
1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylbutan-1-amine
CID 43185909
(1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride
CID 171233483
2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 64989658

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(4-chloro-6-methyl-2-pyridinyl)-2-methylbutan-1-amine?
The IUPAC name of (1R,2R)-1-(4-chloro-6-methyl-2-pyridinyl)-2-methylbutan-1-amine (CID 125488574) is (1R,2R)-1-(4-chloro-6-methyl-2-pyridinyl)-2-methylbutan-1-amine.
What is the SMILES notation for (1R,2R)-1-(4-chloro-6-methyl-2-pyridinyl)-2-methylbutan-1-amine?
The canonical SMILES for (1R,2R)-1-(4-chloro-6-methyl-2-pyridinyl)-2-methylbutan-1-amine is CC[C@@H](C)[C@@H](N)c1cc(Cl)cc(C)n1.
What is the InChIKey of (1R,2R)-1-(4-chloro-6-methyl-2-pyridinyl)-2-methylbutan-1-amine?
The InChIKey is RBNFAAKFORZMQG-RDDDGLTNSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-4-7(2)11(13)10-6-9(12)5-8(3)14-10/h5-7,11H,4,13H2,1-3H3/t7-,11-/m1/s1.
What are the key properties of (1R,2R)-1-(4-chloro-6-methyl-2-pyridinyl)-2-methylbutan-1-amine?
(1R,2R)-1-(4-chloro-6-methyl-2-pyridinyl)-2-methylbutan-1-amine has a molecular weight of 212.72 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(4-chloro-6-methyl-2-pyridinyl)-2-methylbutan-1-amine is sourced from PubChem (CID 125488574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).