(1S)-1-(6-bromo-4-methyl-3-pyridinyl)propan-1-amine

C9H13BrN2 — CID 124501686

IUPAC(1S)-1-(6-bromo-4-methyl-3-pyridinyl)propan-1-amine
SMILESCC[C@H](N)c1cnc(Br)cc1C
InChIInChI=1S/C9H13BrN2/c1-3-8(11)7-5-12-9(10)4-6(7)2/h4-5,8H,3,11H2,1-2H3/t8-/m0/s1
InChIKeyKBNGYOVZEOARQR-QMMMGPOBSA-N
MW229.12 g/mol
LogP2.56
Rot. Bonds2

About (1S)-1-(6-bromo-4-methyl-3-pyridinyl)propan-1-amine

(1S)-1-(6-bromo-4-methyl-3-pyridinyl)propan-1-amine (PubChem CID 124501686) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is (1S)-1-(6-bromo-4-methyl-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(6-bromo-4-methyl-3-pyridinyl)propan-1-amine
PubChem CID124501686
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name(1S)-1-(6-bromo-4-methyl-3-pyridinyl)propan-1-amine
SMILESCC[C@H](N)c1cnc(Br)cc1C
InChIInChI=1S/C9H13BrN2/c1-3-8(11)7-5-12-9(10)4-6(7)2/h4-5,8H,3,11H2,1-2H3/t8-/m0/s1
InChIKeyKBNGYOVZEOARQR-QMMMGPOBSA-N
XLogP2.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(1R)-1-aminopropyl]-4-methylpyridin-2-amine
CID 55275674
(1R)-1-(6-methoxy-4-methyl-3-pyridinyl)propan-1-amine
CID 55277607
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)propan-1-amine
CID 55273612
1-(6-iodo-4-methyl-3-pyridinyl)propan-1-amine
CID 102547042
5-[(1S)-1-aminopropyl]-N-ethyl-N,4-dimethylpyridin-2-amine
CID 124501825
5-[(1S)-1-aminopropyl]-4-methyl-N-propylpyridin-2-amine
CID 124501813
5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine
CID 124502187
5-(1-aminopropyl)-4-methyl-N-propylpyridin-2-amine
CID 102545297
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
(1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine
CID 124501981
1-(4-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-amine
CID 102545461
1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine
CID 102545557

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-bromo-4-methyl-3-pyridinyl)propan-1-amine?
The IUPAC name of (1S)-1-(6-bromo-4-methyl-3-pyridinyl)propan-1-amine (CID 124501686) is (1S)-1-(6-bromo-4-methyl-3-pyridinyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(6-bromo-4-methyl-3-pyridinyl)propan-1-amine?
The canonical SMILES for (1S)-1-(6-bromo-4-methyl-3-pyridinyl)propan-1-amine is CC[C@H](N)c1cnc(Br)cc1C.
What is the InChIKey of (1S)-1-(6-bromo-4-methyl-3-pyridinyl)propan-1-amine?
The InChIKey is KBNGYOVZEOARQR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-3-8(11)7-5-12-9(10)4-6(7)2/h4-5,8H,3,11H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-(6-bromo-4-methyl-3-pyridinyl)propan-1-amine?
(1S)-1-(6-bromo-4-methyl-3-pyridinyl)propan-1-amine has a molecular weight of 229.12 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-bromo-4-methyl-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 124501686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).