1-(4-bromo-2-pyridinyl)-4-methoxybutan-1-amine

C10H15BrN2O — CID 68653251

IUPAC1-(4-bromo-2-pyridinyl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)c1cc(Br)ccn1
InChIInChI=1S/C10H15BrN2O/c1-14-6-2-3-9(12)10-7-8(11)4-5-13-10/h4-5,7,9H,2-3,6,12H2,1H3
InChIKeyMGXDSJPNBYRROS-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.27
Rot. Bonds5

About 1-(4-bromo-2-pyridinyl)-4-methoxybutan-1-amine

1-(4-bromo-2-pyridinyl)-4-methoxybutan-1-amine (PubChem CID 68653251) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-(4-bromo-2-pyridinyl)-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-pyridinyl)-4-methoxybutan-1-amine
PubChem CID68653251
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name1-(4-bromo-2-pyridinyl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)c1cc(Br)ccn1
InChIInChI=1S/C10H15BrN2O/c1-14-6-2-3-9(12)10-7-8(11)4-5-13-10/h4-5,7,9H,2-3,6,12H2,1H3
InChIKeyMGXDSJPNBYRROS-UHFFFAOYSA-N
XLogP2.27
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine
CID 105055131
4-methoxy-1-pyridin-4-ylbutan-1-amine
CID 115601661
(1R)-1-(4-bromo-2-pyridinyl)-2-methylpropan-1-amine
CID 124704586
1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine
CID 68710980
[1-(4-bromo-2-pyridinyl)-2-methoxyethyl]carbamic acid
CID 166682169
1-(3-fluoro-2-pyridinyl)-4-methoxybutan-1-amine
CID 114856715
1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine
CID 104802296
1-(furan-2-yl)-4-methoxybutan-1-amine
CID 62716134
(1R)-1-[5-bromo-2-(3-methoxypropoxy)phenyl]ethanamine
CID 63367943
3-(3-bromophenoxy)-1-pyrazin-2-ylpropan-1-amine
CID 54971622
1-(3-bromophenyl)sulfanyl-5-methoxypentan-2-amine
CID 114856105
4-methoxy-1-quinolin-6-ylbutan-1-amine
CID 78924718

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-pyridinyl)-4-methoxybutan-1-amine?
The IUPAC name of 1-(4-bromo-2-pyridinyl)-4-methoxybutan-1-amine (CID 68653251) is 1-(4-bromo-2-pyridinyl)-4-methoxybutan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-pyridinyl)-4-methoxybutan-1-amine?
The canonical SMILES for 1-(4-bromo-2-pyridinyl)-4-methoxybutan-1-amine is COCCCC(N)c1cc(Br)ccn1.
What is the InChIKey of 1-(4-bromo-2-pyridinyl)-4-methoxybutan-1-amine?
The InChIKey is MGXDSJPNBYRROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-14-6-2-3-9(12)10-7-8(11)4-5-13-10/h4-5,7,9H,2-3,6,12H2,1H3.
What are the key properties of 1-(4-bromo-2-pyridinyl)-4-methoxybutan-1-amine?
1-(4-bromo-2-pyridinyl)-4-methoxybutan-1-amine has a molecular weight of 259.15 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-pyridinyl)-4-methoxybutan-1-amine is sourced from PubChem (CID 68653251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).