2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol

C14H22FN3O — CID 105390415

IUPAC2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1nccc(CNCCC)c1F
InChIInChI=1S/C14H22FN3O/c1-3-6-16-11-12-5-7-17-14(13(12)15)18(8-4-2)9-10-19/h4-5,7,16,19H,2-3,6,8-11H2,1H3
InChIKeyNOVDUYLECUBAGG-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.71
Rot. Bonds9

About 2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol

2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol (PubChem CID 105390415) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol
PubChem CID105390415
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1nccc(CNCCC)c1F
InChIInChI=1S/C14H22FN3O/c1-3-6-16-11-12-5-7-17-14(13(12)15)18(8-4-2)9-10-19/h4-5,7,16,19H,2-3,6,8-11H2,1H3
InChIKeyNOVDUYLECUBAGG-UHFFFAOYSA-N
XLogP1.71
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine
CID 105388723
4-(aminomethyl)-N-ethyl-3-fluoro-N-prop-2-enylpyridin-2-amine
CID 105390237
2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 106876373
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine
CID 105390420
3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine
CID 105390228
3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 105389253
N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
CID 105389291
N-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine
CID 105390746
N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 105389911
N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105389989
3-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
CID 105389300
3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
CID 105390476

Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol?
The IUPAC name of 2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol (CID 105390415) is 2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol is C=CCN(CCO)c1nccc(CNCCC)c1F.
What is the InChIKey of 2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol?
The InChIKey is NOVDUYLECUBAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-3-6-16-11-12-5-7-17-14(13(12)15)18(8-4-2)9-10-19/h4-5,7,16,19H,2-3,6,8-11H2,1H3.
What are the key properties of 2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol?
2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol has a molecular weight of 267.35 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol is sourced from PubChem (CID 105390415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).