3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine

C11H15ClN2O — CID 61020967

IUPAC3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
SMILESClc1cccnc1NCC1CCCOC1
InChIInChI=1S/C11H15ClN2O/c12-10-4-1-5-13-11(10)14-7-9-3-2-6-15-8-9/h1,4-5,9H,2-3,6-8H2,(H,13,14)
InChIKeyUNWNBAYTYAGMLF-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.57
Rot. Bonds3

About 3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine

3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine (PubChem CID 61020967) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
PubChem CID61020967
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
SMILESClc1cccnc1NCC1CCCOC1
InChIInChI=1S/C11H15ClN2O/c12-10-4-1-5-13-11(10)14-7-9-3-2-6-15-8-9/h1,4-5,9H,2-3,6-8H2,(H,13,14)
InChIKeyUNWNBAYTYAGMLF-UHFFFAOYSA-N
XLogP2.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-(oxan-3-ylmethyl)aniline
CID 65469527
3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 102750873
N-(azetidin-3-ylmethyl)-3-chloropyridin-2-amine
CID 127017021
5-chloro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813611
3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one
CID 115657139
3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 114835731
1-(oxan-3-ylmethylamino)isoquinolin-7-ol
CID 106537797
3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 63541675
3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine
CID 102983881
1-N-(oxan-3-ylmethyl)-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine
CID 163957200
5-bromo-2-chloro-N-(oxan-3-ylmethyl)aniline
CID 63740223
2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813128

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine (CID 61020967) is 3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine is Clc1cccnc1NCC1CCCOC1.
What is the InChIKey of 3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine?
The InChIKey is UNWNBAYTYAGMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-10-4-1-5-13-11(10)14-7-9-3-2-6-15-8-9/h1,4-5,9H,2-3,6-8H2,(H,13,14).
What are the key properties of 3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine?
3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine has a molecular weight of 226.71 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 61020967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).