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

C11H14Cl2N2O — CID 106300071

IUPAC3-chloro-N-[4-(chloromethyl)oxan-4-yl]pyridin-4-amine
SMILESClCC1(Nc2ccncc2Cl)CCOCC1
InChIInChI=1S/C11H14Cl2N2O/c12-8-11(2-5-16-6-3-11)15-10-1-4-14-7-9(10)13/h1,4,7H,2-3,5-6,8H2,(H,14,15)
InChIKeyOWURCTCLXTXOMR-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.93
Rot. Bonds3

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

3-chloro-N-[4-(chloromethyl)oxan-4-yl]pyridin-4-amine (PubChem CID 106300071) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 3-chloro-N-[4-(chloromethyl)oxan-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[4-(chloromethyl)oxan-4-yl]pyridin-4-amine
PubChem CID106300071
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name3-chloro-N-[4-(chloromethyl)oxan-4-yl]pyridin-4-amine
SMILESClCC1(Nc2ccncc2Cl)CCOCC1
InChIInChI=1S/C11H14Cl2N2O/c12-8-11(2-5-16-6-3-11)15-10-1-4-14-7-9(10)13/h1,4,7H,2-3,5-6,8H2,(H,14,15)
InChIKeyOWURCTCLXTXOMR-UHFFFAOYSA-N
XLogP2.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.93
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

N-[4-(chloromethyl)oxan-4-yl]-3-methylpyridin-4-amine
CID 106300143
N-[1-(chloromethyl)cyclopentyl]-3-fluoropyridin-4-amine
CID 164661353
4-[[(3-chloro-4-pyridinyl)amino]methyl]oxane-4-carboxamide
CID 84595497
N-[4-(chloromethyl)oxan-4-yl]-2-methylpyridin-4-amine
CID 106300213
3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine
CID 106300053
3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine
CID 71977840
N-[4-(chloromethyl)oxan-4-yl]-4-methoxypyrimidin-2-amine
CID 106300153
N-[3-(chloromethyl)oxolan-3-yl]-5-fluoropyridin-2-amine
CID 130847366
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 106100683
3,4-dichloro-N-[4-(chloromethyl)oxan-4-yl]benzenesulfonamide
CID 106301402
3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112697162
3-[(3-chloro-4-pyridinyl)amino]-2-(oxan-4-yl)propanoic acid
CID 154765659

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(chloromethyl)oxan-4-yl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[4-(chloromethyl)oxan-4-yl]pyridin-4-amine (CID 106300071) is 3-chloro-N-[4-(chloromethyl)oxan-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[4-(chloromethyl)oxan-4-yl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[4-(chloromethyl)oxan-4-yl]pyridin-4-amine is ClCC1(Nc2ccncc2Cl)CCOCC1.
What is the InChIKey of 3-chloro-N-[4-(chloromethyl)oxan-4-yl]pyridin-4-amine?
The InChIKey is OWURCTCLXTXOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c12-8-11(2-5-16-6-3-11)15-10-1-4-14-7-9(10)13/h1,4,7H,2-3,5-6,8H2,(H,14,15).
What are the key properties of 3-chloro-N-[4-(chloromethyl)oxan-4-yl]pyridin-4-amine?
3-chloro-N-[4-(chloromethyl)oxan-4-yl]pyridin-4-amine has a molecular weight of 261.15 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(chloromethyl)oxan-4-yl]pyridin-4-amine is sourced from PubChem (CID 106300071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).