N-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine

C11H15ClN2O — CID 115616389

IUPACN-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine
SMILESClc1ncccc1CNC1CCCOC1
InChIInChI=1S/C11H15ClN2O/c12-11-9(3-1-5-13-11)7-14-10-4-2-6-15-8-10/h1,3,5,10,14H,2,4,6-8H2
InChIKeyOTSOKXWHRQMYOV-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.00
Rot. Bonds3

About N-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine

N-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine (PubChem CID 115616389) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine
PubChem CID115616389
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine
SMILESClc1ncccc1CNC1CCCOC1
InChIInChI=1S/C11H15ClN2O/c12-11-9(3-1-5-13-11)7-14-10-4-2-6-15-8-10/h1,3,5,10,14H,2,4,6-8H2
InChIKeyOTSOKXWHRQMYOV-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromophenyl)methyl]oxan-3-amine
CID 63360139
N-(1,3-benzodioxol-4-ylmethyl)oxan-3-amine
CID 63360334
N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine
CID 115906683
(3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine
CID 126999806
N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine
CID 66161345
(3R)-N-[(2,3-dimethoxyphenyl)methyl]oxan-3-amine
CID 95986911
N-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine
CID 63360178
N-(pyrimidin-4-ylmethyl)oxan-3-amine
CID 63360348
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
3-[(cyclobutylamino)methyl]pyridin-2-amine
CID 117212619
N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine
CID 55189666
N-[(5-chloro-2-nitrophenyl)methyl]oxan-3-amine
CID 78998853

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine?
The IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine (CID 115616389) is N-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine?
The canonical SMILES for N-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine is Clc1ncccc1CNC1CCCOC1.
What is the InChIKey of N-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine?
The InChIKey is OTSOKXWHRQMYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-11-9(3-1-5-13-11)7-14-10-4-2-6-15-8-10/h1,3,5,10,14H,2,4,6-8H2.
What are the key properties of N-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine?
N-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine has a molecular weight of 226.71 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine is sourced from PubChem (CID 115616389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).