3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol

C10H15F2N3O — CID 106179413

IUPAC3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol
SMILESCCNc1cc(NCC(F)(F)CO)ccn1
InChIInChI=1S/C10H15F2N3O/c1-2-13-9-5-8(3-4-14-9)15-6-10(11,12)7-16/h3-5,16H,2,6-7H2,1H3,(H2,13,14,15)
InChIKeyPWLYCUOQYZIARV-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.55
Rot. Bonds6

About 3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol

3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol (PubChem CID 106179413) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol
PubChem CID106179413
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol
SMILESCCNc1cc(NCC(F)(F)CO)ccn1
InChIInChI=1S/C10H15F2N3O/c1-2-13-9-5-8(3-4-14-9)15-6-10(11,12)7-16/h3-5,16H,2,6-7H2,1H3,(H2,13,14,15)
InChIKeyPWLYCUOQYZIARV-UHFFFAOYSA-N
XLogP1.55
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol
CID 104858561
5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol
CID 114152288
ethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate
CID 113367744
2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine
CID 114131334
1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol
CID 107159665
2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179368
2,2-difluoro-3-(pyrazin-2-ylamino)propan-1-ol
CID 104858515
3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179290
4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-propylpyridine-2,4-diamine
CID 113367699
2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine
CID 106262665
N-(2,2-difluoropropyl)-2-ethylpyridin-4-amine
CID 164654537
2,2-difluoro-3-(naphthalen-2-ylamino)propan-1-ol
CID 106177968

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol (CID 106179413) is 3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol is CCNc1cc(NCC(F)(F)CO)ccn1.
What is the InChIKey of 3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol?
The InChIKey is PWLYCUOQYZIARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-2-13-9-5-8(3-4-14-9)15-6-10(11,12)7-16/h3-5,16H,2,6-7H2,1H3,(H2,13,14,15).
What are the key properties of 3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol?
3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol has a molecular weight of 231.25 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106179413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).