[4-(oxan-4-ylmethoxy)-2-pyridinyl]methanamine

C12H18N2O2 — CID 62386915

IUPAC[4-(oxan-4-ylmethoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(OCC2CCOCC2)ccn1
InChIInChI=1S/C12H18N2O2/c13-8-11-7-12(1-4-14-11)16-9-10-2-5-15-6-3-10/h1,4,7,10H,2-3,5-6,8-9,13H2
InChIKeyQBTBIIGQRHVZBN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.35
Rot. Bonds4

About [4-(oxan-4-ylmethoxy)-2-pyridinyl]methanamine

[4-(oxan-4-ylmethoxy)-2-pyridinyl]methanamine (PubChem CID 62386915) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [4-(oxan-4-ylmethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(oxan-4-ylmethoxy)-2-pyridinyl]methanamine
PubChem CID62386915
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[4-(oxan-4-ylmethoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(OCC2CCOCC2)ccn1
InChIInChI=1S/C12H18N2O2/c13-8-11-7-12(1-4-14-11)16-9-10-2-5-15-6-3-10/h1,4,7,10H,2-3,5-6,8-9,13H2
InChIKeyQBTBIIGQRHVZBN-UHFFFAOYSA-N
XLogP1.35
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(cyclopropylmethoxy)-2-pyridinyl]methanamine
CID 62291672
[4-(cyclohexylmethoxy)-2-pyridinyl]methanamine
CID 62385639
2-methyl-N-[[4-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62386548
2-chloro-4-(oxan-4-ylmethoxy)aniline
CID 62384730
2-(oxan-4-ylmethoxy)pyridin-4-amine
CID 62381987
[4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 62383274
4-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine
CID 69228196
2-ethoxy-4-(oxan-4-ylmethoxy)aniline
CID 63678220
2-(oxan-4-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride
CID 90156342
3-amino-5-(oxan-4-ylmethoxy)phenol
CID 89063810
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine
CID 63887848
4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline
CID 83002627

Frequently Asked Questions

What is the IUPAC name of [4-(oxan-4-ylmethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [4-(oxan-4-ylmethoxy)-2-pyridinyl]methanamine (CID 62386915) is [4-(oxan-4-ylmethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(oxan-4-ylmethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(oxan-4-ylmethoxy)-2-pyridinyl]methanamine is NCc1cc(OCC2CCOCC2)ccn1.
What is the InChIKey of [4-(oxan-4-ylmethoxy)-2-pyridinyl]methanamine?
The InChIKey is QBTBIIGQRHVZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-8-11-7-12(1-4-14-11)16-9-10-2-5-15-6-3-10/h1,4,7,10H,2-3,5-6,8-9,13H2.
What are the key properties of [4-(oxan-4-ylmethoxy)-2-pyridinyl]methanamine?
[4-(oxan-4-ylmethoxy)-2-pyridinyl]methanamine has a molecular weight of 222.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-4-ylmethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 62386915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).