3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine

C11H14BrClN2O — CID 106300053

IUPAC3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine
SMILESClCC1(Nc2ncccc2Br)CCOCC1
InChIInChI=1S/C11H14BrClN2O/c12-9-2-1-5-14-10(9)15-11(8-13)3-6-16-7-4-11/h1-2,5H,3-4,6-8H2,(H,14,15)
InChIKeyVNUCCVBTCROUSJ-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.04
Rot. Bonds3

About 3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine

3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine (PubChem CID 106300053) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is 3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine
PubChem CID106300053
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine
SMILESClCC1(Nc2ncccc2Br)CCOCC1
InChIInChI=1S/C11H14BrClN2O/c12-9-2-1-5-14-10(9)15-11(8-13)3-6-16-7-4-11/h1-2,5H,3-4,6-8H2,(H,14,15)
InChIKeyVNUCCVBTCROUSJ-UHFFFAOYSA-N
XLogP3.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[(3-bromo-2-pyridinyl)amino]oxolan-3-yl]methanol
CID 130948421
N-[1-(chloromethyl)cyclopentyl]-3-methylpyridin-2-amine
CID 65029490
N-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine
CID 106298028
N-[4-(chloromethyl)oxan-4-yl]-2-methylpyridin-4-amine
CID 106300213
[4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106299315
N-[4-(chloromethyl)oxan-4-yl]-3-methylpyridine-2-carboxamide
CID 114170454
3-bromo-N-[1-(chloromethyl)cyclopentyl]-4-methylpyridin-2-amine
CID 106878934
3-chloro-N-[4-(chloromethyl)oxan-4-yl]pyridin-4-amine
CID 106300071
N-[4-(chloromethyl)oxan-4-yl]-4-methoxypyrimidin-2-amine
CID 106300153
N-[4-(chloromethyl)oxan-4-yl]-3-methylpyridin-4-amine
CID 106300143
N-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide
CID 106300490
N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypyridin-2-amine
CID 113371331

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine?
The IUPAC name of 3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine (CID 106300053) is 3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine?
The canonical SMILES for 3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine is ClCC1(Nc2ncccc2Br)CCOCC1.
What is the InChIKey of 3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine?
The InChIKey is VNUCCVBTCROUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c12-9-2-1-5-14-10(9)15-11(8-13)3-6-16-7-4-11/h1-2,5H,3-4,6-8H2,(H,14,15).
What are the key properties of 3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine?
3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine has a molecular weight of 305.60 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine is sourced from PubChem (CID 106300053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).