3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol

C17H23ClN2O — CID 134711908

IUPAC3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol
SMILESCC(Nc1ncccc1Cl)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C17H23ClN2O/c1-11(20-15-14(18)3-2-4-19-15)16-6-12-5-13(7-16)9-17(21,8-12)10-16/h2-4,11-13,21H,5-10H2,1H3,(H,19,20)
InChIKeyQUORRQUVCGUIFB-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.87
Rot. Bonds3

About 3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol

3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol (PubChem CID 134711908) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol.

Molecular Properties

Compound Name3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol
PubChem CID134711908
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol
SMILESCC(Nc1ncccc1Cl)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C17H23ClN2O/c1-11(20-15-14(18)3-2-4-19-15)16-6-12-5-13(7-16)9-17(21,8-12)10-16/h2-4,11-13,21H,5-10H2,1H3,(H,19,20)
InChIKeyQUORRQUVCGUIFB-UHFFFAOYSA-N
XLogP3.87
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-amine
CID 43690050
3-[1-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]adamantan-1-ol
CID 134711360
3-[1-[(6-methylpyrazin-2-yl)amino]ethyl]adamantan-1-ol
CID 134698853
(5S,7R)-3-[(1S)-1-[[(2S)-1-(4-chlorophenyl)propan-2-yl]amino]ethyl]adamantan-1-ol
CID 29103194
N-[1-(1-adamantyl)ethyl]-2,6-dichloroaniline
CID 65468370
3-(1-phenylethyl)adamantan-1-ol
CID 178183380
N-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 99957505
N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methoxypyridine-4-carboxamide
CID 131909299
N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide
CID 162496168
3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63838521
3-[1-[2,6-dinitro-4-(trifluoromethyl)anilino]ethyl]adamantan-1-ol
CID 3334462
3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 115689298

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol?
The IUPAC name of 3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol (CID 134711908) is 3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol.
What is the SMILES notation for 3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol?
The canonical SMILES for 3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol is CC(Nc1ncccc1Cl)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol?
The InChIKey is QUORRQUVCGUIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-11(20-15-14(18)3-2-4-19-15)16-6-12-5-13(7-16)9-17(21,8-12)10-16/h2-4,11-13,21H,5-10H2,1H3,(H,19,20).
What are the key properties of 3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol?
3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol has a molecular weight of 306.84 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol is sourced from PubChem (CID 134711908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).