(Z)-1-(2-fluorophenyl)-2-[methyl(methylamino)amino]but-2-en-1-ol

C12H17FN2O — CID 137466357

IUPAC(Z)-1-(2-fluorophenyl)-2-[methyl(methylamino)amino]but-2-en-1-ol
SMILESC/C=C(/C(O)c1ccccc1F)N(C)NC
InChIInChI=1S/C12H17FN2O/c1-4-11(15(3)14-2)12(16)9-7-5-6-8-10(9)13/h4-8,12,14,16H,1-3H3/b11-4-
InChIKeyNFAFKRXBZZZXRF-WCIBSUBMSA-N
MW224.28 g/mol
LogP1.83
Rot. Bonds4

About (Z)-1-(2-fluorophenyl)-2-[methyl(methylamino)amino]but-2-en-1-ol

(Z)-1-(2-fluorophenyl)-2-[methyl(methylamino)amino]but-2-en-1-ol (PubChem CID 137466357) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is (Z)-1-(2-fluorophenyl)-2-[methyl(methylamino)amino]but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-1-(2-fluorophenyl)-2-[methyl(methylamino)amino]but-2-en-1-ol
PubChem CID137466357
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name(Z)-1-(2-fluorophenyl)-2-[methyl(methylamino)amino]but-2-en-1-ol
SMILESC/C=C(/C(O)c1ccccc1F)N(C)NC
InChIInChI=1S/C12H17FN2O/c1-4-11(15(3)14-2)12(16)9-7-5-6-8-10(9)13/h4-8,12,14,16H,1-3H3/b11-4-
InChIKeyNFAFKRXBZZZXRF-WCIBSUBMSA-N
XLogP1.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(2-fluorophenyl)-2-phenylbut-2-en-1-ol
CID 70418006
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
1-fluoro-1-(2-fluorophenyl)propan-2-ol
CID 105435040
bis(2-fluorophenyl)methanol
CID 18424663
1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol
CID 54964766
(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 66633990
(1R,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 130128160
3-[(S)-(2-fluorophenyl)-hydroxymethyl]but-3-en-2-one
CID 130607849
3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456
1-(2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 103457269
1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
CID 60979791
methyl (E,4S)-4-(2-fluorophenyl)-4-hydroxybut-2-enoate
CID 124644295

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-fluorophenyl)-2-[methyl(methylamino)amino]but-2-en-1-ol?
The IUPAC name of (Z)-1-(2-fluorophenyl)-2-[methyl(methylamino)amino]but-2-en-1-ol (CID 137466357) is (Z)-1-(2-fluorophenyl)-2-[methyl(methylamino)amino]but-2-en-1-ol.
What is the SMILES notation for (Z)-1-(2-fluorophenyl)-2-[methyl(methylamino)amino]but-2-en-1-ol?
The canonical SMILES for (Z)-1-(2-fluorophenyl)-2-[methyl(methylamino)amino]but-2-en-1-ol is C/C=C(/C(O)c1ccccc1F)N(C)NC.
What is the InChIKey of (Z)-1-(2-fluorophenyl)-2-[methyl(methylamino)amino]but-2-en-1-ol?
The InChIKey is NFAFKRXBZZZXRF-WCIBSUBMSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-4-11(15(3)14-2)12(16)9-7-5-6-8-10(9)13/h4-8,12,14,16H,1-3H3/b11-4-.
What are the key properties of (Z)-1-(2-fluorophenyl)-2-[methyl(methylamino)amino]but-2-en-1-ol?
(Z)-1-(2-fluorophenyl)-2-[methyl(methylamino)amino]but-2-en-1-ol has a molecular weight of 224.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-fluorophenyl)-2-[methyl(methylamino)amino]but-2-en-1-ol is sourced from PubChem (CID 137466357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).