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

C8H11BrN2 — CID 130713108

IUPAC(1S)-1-(4-bromo-3-pyridinyl)propan-1-amine
SMILESCC[C@H](N)c1cnccc1Br
InChIInChI=1S/C8H11BrN2/c1-2-8(10)6-5-11-4-3-7(6)9/h3-5,8H,2,10H2,1H3/t8-/m0/s1
InChIKeyHRKIMISXGMLJLB-QMMMGPOBSA-N
MW215.09 g/mol
LogP2.25
Rot. Bonds2

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

(1S)-1-(4-bromo-3-pyridinyl)propan-1-amine (PubChem CID 130713108) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is (1S)-1-(4-bromo-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-bromo-3-pyridinyl)propan-1-amine
PubChem CID130713108
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name(1S)-1-(4-bromo-3-pyridinyl)propan-1-amine
SMILESCC[C@H](N)c1cnccc1Br
InChIInChI=1S/C8H11BrN2/c1-2-8(10)6-5-11-4-3-7(6)9/h3-5,8H,2,10H2,1H3/t8-/m0/s1
InChIKeyHRKIMISXGMLJLB-QMMMGPOBSA-N
XLogP2.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-(1-bromoethyl)pyridine
CID 119087167
1-(3-methoxy-4-pyridinyl)propan-1-amine
CID 105065142
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
3-(4-bromo-3-pyridinyl)-4-methylpentan-1-amine
CID 84805510
3-(1-amino-3-ethoxypropyl)pyridin-4-amine
CID 106815066
(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519
(1S)-1-(2-bromo-5-iodophenyl)propan-1-amine
CID 130713970
2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877921
4-[(1R)-1-aminopropyl]-3-bromoaniline
CID 131173181
ethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate
CID 121230185
(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
CID 114877972
1-(5-bromo-2-chlorophenyl)propan-1-amine
CID 83988605

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromo-3-pyridinyl)propan-1-amine?
The IUPAC name of (1S)-1-(4-bromo-3-pyridinyl)propan-1-amine (CID 130713108) is (1S)-1-(4-bromo-3-pyridinyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(4-bromo-3-pyridinyl)propan-1-amine?
The canonical SMILES for (1S)-1-(4-bromo-3-pyridinyl)propan-1-amine is CC[C@H](N)c1cnccc1Br.
What is the InChIKey of (1S)-1-(4-bromo-3-pyridinyl)propan-1-amine?
The InChIKey is HRKIMISXGMLJLB-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-2-8(10)6-5-11-4-3-7(6)9/h3-5,8H,2,10H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-(4-bromo-3-pyridinyl)propan-1-amine?
(1S)-1-(4-bromo-3-pyridinyl)propan-1-amine has a molecular weight of 215.09 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromo-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 130713108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).