N-[4-(chloromethyl)oxan-4-yl]-2-methylpyridin-4-amine

C12H17ClN2O — CID 106300213

IUPACN-[4-(chloromethyl)oxan-4-yl]-2-methylpyridin-4-amine
SMILESCc1cc(NC2(CCl)CCOCC2)ccn1
InChIInChI=1S/C12H17ClN2O/c1-10-8-11(2-5-14-10)15-12(9-13)3-6-16-7-4-12/h2,5,8H,3-4,6-7,9H2,1H3,(H,14,15)
InChIKeyAXVXLBNKQWEKMN-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.59
Rot. Bonds3

About N-[4-(chloromethyl)oxan-4-yl]-2-methylpyridin-4-amine

N-[4-(chloromethyl)oxan-4-yl]-2-methylpyridin-4-amine (PubChem CID 106300213) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-[4-(chloromethyl)oxan-4-yl]-2-methylpyridin-4-amine.

Molecular Properties

Compound NameN-[4-(chloromethyl)oxan-4-yl]-2-methylpyridin-4-amine
PubChem CID106300213
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-[4-(chloromethyl)oxan-4-yl]-2-methylpyridin-4-amine
SMILESCc1cc(NC2(CCl)CCOCC2)ccn1
InChIInChI=1S/C12H17ClN2O/c1-10-8-11(2-5-14-10)15-12(9-13)3-6-16-7-4-12/h2,5,8H,3-4,6-7,9H2,1H3,(H,14,15)
InChIKeyAXVXLBNKQWEKMN-UHFFFAOYSA-N
XLogP2.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.59
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

2-[1-[(2-methyl-4-pyridinyl)amino]cyclopropyl]acetic acid
CID 131219428
2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine
CID 130906124
N-[4-(chloromethyl)oxan-4-yl]-3-methylpyridin-4-amine
CID 106300143
N-[4-(chloromethyl)oxan-4-yl]-4-methoxypyrimidin-2-amine
CID 106300153
3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine
CID 106300053
N-[4-(chloromethyl)oxan-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 106300262
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridin-4-amine
CID 131909403
4-[[4-(chloromethyl)oxan-4-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 106300134
3-chloro-N-[4-(chloromethyl)oxan-4-yl]pyridin-4-amine
CID 106300071
N-[4-(chloromethyl)oxan-4-yl]-6-propylpyrimidin-4-amine
CID 114170441
N-[4-(chloromethyl)oxan-4-yl]-6-propoxypyrimidin-4-amine
CID 106300113
N-[4-(chloromethyl)oxan-4-yl]-3-methylpyridine-2-carboxamide
CID 114170454

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2-methylpyridin-4-amine?
The IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2-methylpyridin-4-amine (CID 106300213) is N-[4-(chloromethyl)oxan-4-yl]-2-methylpyridin-4-amine.
What is the SMILES notation for N-[4-(chloromethyl)oxan-4-yl]-2-methylpyridin-4-amine?
The canonical SMILES for N-[4-(chloromethyl)oxan-4-yl]-2-methylpyridin-4-amine is Cc1cc(NC2(CCl)CCOCC2)ccn1.
What is the InChIKey of N-[4-(chloromethyl)oxan-4-yl]-2-methylpyridin-4-amine?
The InChIKey is AXVXLBNKQWEKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-10-8-11(2-5-14-10)15-12(9-13)3-6-16-7-4-12/h2,5,8H,3-4,6-7,9H2,1H3,(H,14,15).
What are the key properties of N-[4-(chloromethyl)oxan-4-yl]-2-methylpyridin-4-amine?
N-[4-(chloromethyl)oxan-4-yl]-2-methylpyridin-4-amine has a molecular weight of 240.73 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)oxan-4-yl]-2-methylpyridin-4-amine is sourced from PubChem (CID 106300213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).