[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluoro-4-pyridinyl]methanol

C14H24FN3O — CID 105383012

IUPAC[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluoro-4-pyridinyl]methanol
SMILESCC(C)CN(CCN(C)C)c1nccc(CO)c1F
InChIInChI=1S/C14H24FN3O/c1-11(2)9-18(8-7-17(3)4)14-13(15)12(10-19)5-6-16-14/h5-6,11,19H,7-10H2,1-4H3
InChIKeyTWCYYEPSPDZVNH-UHFFFAOYSA-N
MW269.36 g/mol
LogP1.74
Rot. Bonds7

About [2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluoro-4-pyridinyl]methanol

[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluoro-4-pyridinyl]methanol (PubChem CID 105383012) has the molecular formula C14H24FN3O and a molecular weight of 269.36 g/mol. Its IUPAC name is [2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluoro-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluoro-4-pyridinyl]methanol
PubChem CID105383012
Molecular FormulaC14H24FN3O
Molecular Weight269.36 g/mol
Exact Mass269.19
IUPAC Name[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluoro-4-pyridinyl]methanol
SMILESCC(C)CN(CCN(C)C)c1nccc(CO)c1F
InChIInChI=1S/C14H24FN3O/c1-11(2)9-18(8-7-17(3)4)14-13(15)12(10-19)5-6-16-14/h5-6,11,19H,7-10H2,1-4H3
InChIKeyTWCYYEPSPDZVNH-UHFFFAOYSA-N
XLogP1.74
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-fluoro-2-[methyl(propan-2-yl)amino]-4-pyridinyl]methanol
CID 105382880
N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62282134
3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine
CID 102985665
[3-fluoro-2-[propyl(prop-2-ynyl)amino]-4-pyridinyl]methanol
CID 105383144
[3-fluoro-2-[methyl(2-phenylethyl)amino]-4-pyridinyl]methanol
CID 105383104
3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 107062353
[6-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-pyridinyl]methanol
CID 55008988
N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 105389911
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-2-carbothioamide
CID 62925226
[3-fluoro-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4-pyridinyl]methanol
CID 105383120
[3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol
CID 105383032
4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 105389620

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluoro-4-pyridinyl]methanol?
The IUPAC name of [2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluoro-4-pyridinyl]methanol (CID 105383012) is [2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluoro-4-pyridinyl]methanol.
What is the SMILES notation for [2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluoro-4-pyridinyl]methanol?
The canonical SMILES for [2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluoro-4-pyridinyl]methanol is CC(C)CN(CCN(C)C)c1nccc(CO)c1F.
What is the InChIKey of [2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluoro-4-pyridinyl]methanol?
The InChIKey is TWCYYEPSPDZVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3O/c1-11(2)9-18(8-7-17(3)4)14-13(15)12(10-19)5-6-16-14/h5-6,11,19H,7-10H2,1-4H3.
What are the key properties of [2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluoro-4-pyridinyl]methanol?
[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluoro-4-pyridinyl]methanol has a molecular weight of 269.36 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluoro-4-pyridinyl]methanol is sourced from PubChem (CID 105383012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).