N-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine

C21H22NO2P — CID 132838677

IUPACN-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine
SMILESC=CC(C)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccco1
InChIInChI=1S/C21H22NO2P/c1-3-17(2)21(20-15-10-16-24-20)22-25(23,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h3-17,21H,1H2,2H3,(H,22,23)
InChIKeyVUFRZFLVVPOFCT-UHFFFAOYSA-N
MW351.39 g/mol
LogP4.66
Rot. Bonds7

About N-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine

N-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine (PubChem CID 132838677) has the molecular formula C21H22NO2P and a molecular weight of 351.39 g/mol. Its IUPAC name is N-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine.

Molecular Properties

Compound NameN-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine
PubChem CID132838677
Molecular FormulaC21H22NO2P
Molecular Weight351.39 g/mol
Exact Mass351.14
IUPAC NameN-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine
SMILESC=CC(C)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccco1
InChIInChI=1S/C21H22NO2P/c1-3-17(2)21(20-15-10-16-24-20)22-25(23,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h3-17,21H,1H2,2H3,(H,22,23)
InChIKeyVUFRZFLVVPOFCT-UHFFFAOYSA-N
XLogP4.66
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-3-(diphenylphosphorylamino)-3-(furan-2-yl)-2-hydroxy-1-phenylpropan-1-one
CID 135055281
(3S,4S)-4-(diphenylphosphorylamino)-5-methylhex-1-en-3-ol
CID 10520391
N-[(1S)-1-(furan-2-yl)prop-2-enyl]aniline
CID 102087779
N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine
CID 107907535
(E)-N-diphenylphosphoryl-2,2-dimethyl-1-phenylpent-3-en-1-amine
CID 5461276
(3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 95119513
N-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51147843
(1R,2S)-2-(benzenesulfonyl)-1-(furan-2-yl)-N-prop-2-enylbut-3-en-1-amine
CID 15527319
N-[(S)-diphenylphosphoryl(furan-2-yl)methyl]-4-methoxyaniline
CID 98528394
N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
CID 43177064
N-[(1S,2S)-2-methyl-1-phenylbut-3-enyl]hydroxylamine
CID 134994662
(1R)-N-benzyl-2-diphenylphosphoryl-1-(furan-2-yl)-N-[(1R)-1-phenylethyl]ethanamine
CID 11762891

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine?
The IUPAC name of N-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine (CID 132838677) is N-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine.
What is the SMILES notation for N-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine?
The canonical SMILES for N-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine is C=CC(C)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccco1.
What is the InChIKey of N-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine?
The InChIKey is VUFRZFLVVPOFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22NO2P/c1-3-17(2)21(20-15-10-16-24-20)22-25(23,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h3-17,21H,1H2,2H3,(H,22,23).
What are the key properties of N-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine?
N-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine has a molecular weight of 351.39 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine is sourced from PubChem (CID 132838677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).