5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine

C13H19ClN2O — CID 123747453

IUPAC5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine
SMILESCc1nc(NC(C)C2CCOCC2)ccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-9(11-5-7-17-8-6-11)15-13-4-3-12(14)10(2)16-13/h3-4,9,11H,5-8H2,1-2H3,(H,15,16)
InChIKeyBZFSFUFTHOYGDE-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.27
Rot. Bonds3

About 5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine

5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine (PubChem CID 123747453) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine
PubChem CID123747453
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine
SMILESCc1nc(NC(C)C2CCOCC2)ccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-9(11-5-7-17-8-6-11)15-13-4-3-12(14)10(2)16-13/h3-4,9,11H,5-8H2,1-2H3,(H,15,16)
InChIKeyBZFSFUFTHOYGDE-UHFFFAOYSA-N
XLogP3.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine
CID 114115082
6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine
CID 67043538
6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine
CID 103768470
2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115695408
N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80718382
2-methyl-N-[1-(oxan-4-yl)ethyl]aniline
CID 115916403
6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115658056
3-chloro-6-(1-cyclobutylethylamino)pyridine-2-carbonitrile
CID 133417849
4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine
CID 103768449
5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114115361
2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine
CID 103768427
3,4-dichloro-N-(1-cyclopropylethyl)aniline
CID 43110972

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine (CID 123747453) is 5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine is Cc1nc(NC(C)C2CCOCC2)ccc1Cl.
What is the InChIKey of 5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine?
The InChIKey is BZFSFUFTHOYGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(11-5-7-17-8-6-11)15-13-4-3-12(14)10(2)16-13/h3-4,9,11H,5-8H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine?
5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine has a molecular weight of 254.76 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 123747453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).