5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine

C15H17ClN2O — CID 55127790

IUPAC5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
SMILESCC(C)c1cccc(OCc2nc(N)ccc2Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-10(2)11-4-3-5-12(8-11)19-9-14-13(16)6-7-15(17)18-14/h3-8,10H,9H2,1-2H3,(H2,17,18)
InChIKeyMKWOLPWXSBCYLR-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.02
Rot. Bonds4

About 5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine

5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine (PubChem CID 55127790) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
PubChem CID55127790
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
SMILESCC(C)c1cccc(OCc2nc(N)ccc2Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-10(2)11-4-3-5-12(8-11)19-9-14-13(16)6-7-15(17)18-14/h3-8,10H,9H2,1-2H3,(H2,17,18)
InChIKeyMKWOLPWXSBCYLR-UHFFFAOYSA-N
XLogP4.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80503642
5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine
CID 62887232
5-chloro-6-[(3,5-difluorophenoxy)methyl]pyridin-2-amine
CID 55127269
4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 62464940
4-chloro-2-[(3-propan-2-ylphenoxy)methyl]aniline
CID 79583300
5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine
CID 55127794
5-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)pyridin-2-amine
CID 62885826
5-chloro-6-(2,3-dihydro-1H-inden-5-yloxymethyl)pyridin-2-amine
CID 55127792
(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 55190099
[3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol
CID 61255662
3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine
CID 82082438
7-[[3-[1-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine
CID 127035374

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine (CID 55127790) is 5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine is CC(C)c1cccc(OCc2nc(N)ccc2Cl)c1.
What is the InChIKey of 5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine?
The InChIKey is MKWOLPWXSBCYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10(2)11-4-3-5-12(8-11)19-9-14-13(16)6-7-15(17)18-14/h3-8,10H,9H2,1-2H3,(H2,17,18).
What are the key properties of 5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine?
5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine has a molecular weight of 276.77 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 55127790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).