3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine

C12H17ClN2O — CID 103748473

IUPAC3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2ncccc2Cl)CCOCC1
InChIInChI=1S/C12H17ClN2O/c1-12(4-7-16-8-5-12)9-15-11-10(13)3-2-6-14-11/h2-3,6H,4-5,7-9H2,1H3,(H,14,15)
InChIKeyWNYYKASXFCYSFF-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.96
Rot. Bonds3

About 3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine

3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine (PubChem CID 103748473) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
PubChem CID103748473
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2ncccc2Cl)CCOCC1
InChIInChI=1S/C12H17ClN2O/c1-12(4-7-16-8-5-12)9-15-11-10(13)3-2-6-14-11/h2-3,6H,4-5,7-9H2,1H3,(H,14,15)
InChIKeyWNYYKASXFCYSFF-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine (CID 103748473) is 3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine is CC1(CNc2ncccc2Cl)CCOCC1.
What is the InChIKey of 3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The InChIKey is WNYYKASXFCYSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-12(4-7-16-8-5-12)9-15-11-10(13)3-2-6-14-11/h2-3,6H,4-5,7-9H2,1H3,(H,14,15).
What are the key properties of 3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine has a molecular weight of 240.73 g/mol, XLogP of 2.96, 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-methyloxan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 103748473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).