(2S)-2-[(6-chloro-3-pyridinyl)methylamino]-3-methylbutan-1-ol

C11H17ClN2O — CID 103740251

IUPAC(2S)-2-[(6-chloro-3-pyridinyl)methylamino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCc1ccc(Cl)nc1
InChIInChI=1S/C11H17ClN2O/c1-8(2)10(7-15)13-5-9-3-4-11(12)14-6-9/h3-4,6,8,10,13,15H,5,7H2,1-2H3/t10-/m1/s1
InChIKeyANILSFUVXPXVSW-SNVBAGLBSA-N
MW228.72 g/mol
LogP1.84
Rot. Bonds5

About (2S)-2-[(6-chloro-3-pyridinyl)methylamino]-3-methylbutan-1-ol

(2S)-2-[(6-chloro-3-pyridinyl)methylamino]-3-methylbutan-1-ol (PubChem CID 103740251) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is (2S)-2-[(6-chloro-3-pyridinyl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(6-chloro-3-pyridinyl)methylamino]-3-methylbutan-1-ol
PubChem CID103740251
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name(2S)-2-[(6-chloro-3-pyridinyl)methylamino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCc1ccc(Cl)nc1
InChIInChI=1S/C11H17ClN2O/c1-8(2)10(7-15)13-5-9-3-4-11(12)14-6-9/h3-4,6,8,10,13,15H,5,7H2,1-2H3/t10-/m1/s1
InChIKeyANILSFUVXPXVSW-SNVBAGLBSA-N
XLogP1.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N-methylpyridine-2-carboxamide
CID 171489994
N-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine
CID 115728798
N-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine
CID 115683665
(2S)-2-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol
CID 79253395
(2S)-2-[(3-chloro-4-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 81145636
2-amino-N-[(6-chloro-3-pyridinyl)methyl]-3-methylbutanamide
CID 77144550
(2S)-2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-3-methylbutan-1-ol
CID 79249698
2-[[4-(methoxymethyl)phenyl]methylamino]-3-methylbutan-1-ol
CID 79254253
2-[(3-chloro-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 79254471
N-[(6-chloro-3-pyridinyl)methyl]-2-methylbutanethioamide
CID 90853819
2-[(6-methyl-3-pyridinyl)methylamino]propan-1-ol
CID 89305217
N-[(6-chloro-3-pyridinyl)methyl]hex-5-yn-3-amine
CID 115683729

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-chloro-3-pyridinyl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(6-chloro-3-pyridinyl)methylamino]-3-methylbutan-1-ol (CID 103740251) is (2S)-2-[(6-chloro-3-pyridinyl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(6-chloro-3-pyridinyl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(6-chloro-3-pyridinyl)methylamino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)NCc1ccc(Cl)nc1.
What is the InChIKey of (2S)-2-[(6-chloro-3-pyridinyl)methylamino]-3-methylbutan-1-ol?
The InChIKey is ANILSFUVXPXVSW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-8(2)10(7-15)13-5-9-3-4-11(12)14-6-9/h3-4,6,8,10,13,15H,5,7H2,1-2H3/t10-/m1/s1.
What are the key properties of (2S)-2-[(6-chloro-3-pyridinyl)methylamino]-3-methylbutan-1-ol?
(2S)-2-[(6-chloro-3-pyridinyl)methylamino]-3-methylbutan-1-ol has a molecular weight of 228.72 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-chloro-3-pyridinyl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 103740251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).