5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine

C13H20ClN3O — CID 65334338

IUPAC5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine
SMILESCCNC(c1cc(Cl)cnc1N)C1CCOCC1
InChIInChI=1S/C13H20ClN3O/c1-2-16-12(9-3-5-18-6-4-9)11-7-10(14)8-17-13(11)15/h7-9,12,16H,2-6H2,1H3,(H2,15,17)
InChIKeyKILAOAXIVVGHBZ-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.39
Rot. Bonds4

About 5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine

5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine (PubChem CID 65334338) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine
PubChem CID65334338
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine
SMILESCCNC(c1cc(Cl)cnc1N)C1CCOCC1
InChIInChI=1S/C13H20ClN3O/c1-2-16-12(9-3-5-18-6-4-9)11-7-10(14)8-17-13(11)15/h7-9,12,16H,2-6H2,1H3,(H2,15,17)
InChIKeyKILAOAXIVVGHBZ-UHFFFAOYSA-N
XLogP2.39
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-[ethylamino-(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 65413781
5-chloro-3-[ethylamino-(3-ethylcyclopentyl)methyl]pyridin-2-amine
CID 65410245
N-[(4-chloro-2-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 63936493
N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276511
N-[(5-bromo-2-chlorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 115855995
N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62907060
N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine
CID 66272084
N-[(2-chloro-3-methylphenyl)-(oxan-4-yl)methyl]ethanamine
CID 115855904
5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine
CID 64532990
N-[oxan-4-yl(thiadiazol-5-yl)methyl]ethanamine
CID 105147184
1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 115346692
N-[(3-bromo-4-chlorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 113337193

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine (CID 65334338) is 5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine is CCNC(c1cc(Cl)cnc1N)C1CCOCC1.
What is the InChIKey of 5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine?
The InChIKey is KILAOAXIVVGHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-2-16-12(9-3-5-18-6-4-9)11-7-10(14)8-17-13(11)15/h7-9,12,16H,2-6H2,1H3,(H2,15,17).
What are the key properties of 5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine?
5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine has a molecular weight of 269.78 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 65334338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).