N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine

C11H15ClN2O — CID 115906683

IUPACN-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine
SMILESClc1ccc(CNC2CCCOC2)nc1
InChIInChI=1S/C11H15ClN2O/c12-9-3-4-10(13-6-9)7-14-11-2-1-5-15-8-11/h3-4,6,11,14H,1-2,5,7-8H2
InChIKeyIONVFHOAOSTNQS-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.00
Rot. Bonds3

About N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine

N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine (PubChem CID 115906683) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine
PubChem CID115906683
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine
SMILESClc1ccc(CNC2CCCOC2)nc1
InChIInChI=1S/C11H15ClN2O/c12-9-3-4-10(13-6-9)7-14-11-2-1-5-15-8-11/h3-4,6,11,14H,1-2,5,7-8H2
InChIKeyIONVFHOAOSTNQS-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

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Related Compounds

N-(pyrimidin-4-ylmethyl)oxan-3-amine
CID 63360348
N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine
CID 66161345
N-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine
CID 115616389
(3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine
CID 126999806
(3R)-N-(pyrimidin-5-ylmethyl)oxan-3-amine
CID 130660711
(3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine
CID 130891979
N-[(5-chloro-2-nitrophenyl)methyl]oxan-3-amine
CID 78998853
N-[(2-bromophenyl)methyl]oxan-3-amine
CID 63360139
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine
CID 122569432
2-chloro-4-[(oxan-3-ylamino)methyl]phenol
CID 63363487
(3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine
CID 130670945
6-[(oxan-3-ylamino)methyl]pyridine-2-carboxylic acid
CID 106904699

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine?
The IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine (CID 115906683) is N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine?
The canonical SMILES for N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine is Clc1ccc(CNC2CCCOC2)nc1.
What is the InChIKey of N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine?
The InChIKey is IONVFHOAOSTNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-9-3-4-10(13-6-9)7-14-11-2-1-5-15-8-11/h3-4,6,11,14H,1-2,5,7-8H2.
What are the key properties of N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine?
N-[(5-chloro-2-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-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine is sourced from PubChem (CID 115906683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).