N-[[2-ethyl-3-(1-phosphanylideneethyl)phenyl]methyl]-1-phenylethenamine

C19H22NP — CID 143421302

IUPACN-[[2-ethyl-3-(1-phosphanylideneethyl)phenyl]methyl]-1-phenylethenamine
SMILES[H]/P=C(\C)c1cccc(CNC(=C)c2ccccc2)c1CC
InChIInChI=1S/C19H22NP/c1-4-18-17(11-8-12-19(18)15(3)21)13-20-14(2)16-9-6-5-7-10-16/h5-12,20-21H,2,4,13H2,1,3H3
InChIKeyZFJZEERBOMIXER-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.69
Rot. Bonds6

About N-[[2-ethyl-3-(1-phosphanylideneethyl)phenyl]methyl]-1-phenylethenamine

N-[[2-ethyl-3-(1-phosphanylideneethyl)phenyl]methyl]-1-phenylethenamine (PubChem CID 143421302) has the molecular formula C19H22NP and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[[2-ethyl-3-(1-phosphanylideneethyl)phenyl]methyl]-1-phenylethenamine.

Molecular Properties

Compound NameN-[[2-ethyl-3-(1-phosphanylideneethyl)phenyl]methyl]-1-phenylethenamine
PubChem CID143421302
Molecular FormulaC19H22NP
Molecular Weight295.37 g/mol
Exact Mass295.15
IUPAC NameN-[[2-ethyl-3-(1-phosphanylideneethyl)phenyl]methyl]-1-phenylethenamine
SMILES[H]/P=C(\C)c1cccc(CNC(=C)c2ccccc2)c1CC
InChIInChI=1S/C19H22NP/c1-4-18-17(11-8-12-19(18)15(3)21)13-20-14(2)16-9-6-5-7-10-16/h5-12,20-21H,2,4,13H2,1,3H3
InChIKeyZFJZEERBOMIXER-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-diethyl-3-(1-phenylethenyl)benzene
CID 18968379
(2,3-diethylphenyl)-phenylmethanone;phosphenous acid
CID 174596350
1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene
CID 22151876
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
ethane;N-[(2-ethylphenyl)methyl]acetamide
CID 142489172
1-[2-[(buta-1,3-dien-2-ylamino)methyl]phenyl]ethanone
CID 171821442
N-[(2-methylphenyl)methyl]prop-1-en-2-amine;(E)-5-phenylhex-4-en-3-one
CID 145487558
1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene
CID 173010088
(2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone
CID 102273470
2-ethyl-3-(hydroxymethyl)benzoic acid
CID 141102852
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
3-acetyl-2-ethylbenzonitrile
CID 91208313

Frequently Asked Questions

What is the IUPAC name of N-[[2-ethyl-3-(1-phosphanylideneethyl)phenyl]methyl]-1-phenylethenamine?
The IUPAC name of N-[[2-ethyl-3-(1-phosphanylideneethyl)phenyl]methyl]-1-phenylethenamine (CID 143421302) is N-[[2-ethyl-3-(1-phosphanylideneethyl)phenyl]methyl]-1-phenylethenamine.
What is the SMILES notation for N-[[2-ethyl-3-(1-phosphanylideneethyl)phenyl]methyl]-1-phenylethenamine?
The canonical SMILES for N-[[2-ethyl-3-(1-phosphanylideneethyl)phenyl]methyl]-1-phenylethenamine is [H]/P=C(\C)c1cccc(CNC(=C)c2ccccc2)c1CC.
What is the InChIKey of N-[[2-ethyl-3-(1-phosphanylideneethyl)phenyl]methyl]-1-phenylethenamine?
The InChIKey is ZFJZEERBOMIXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NP/c1-4-18-17(11-8-12-19(18)15(3)21)13-20-14(2)16-9-6-5-7-10-16/h5-12,20-21H,2,4,13H2,1,3H3.
What are the key properties of N-[[2-ethyl-3-(1-phosphanylideneethyl)phenyl]methyl]-1-phenylethenamine?
N-[[2-ethyl-3-(1-phosphanylideneethyl)phenyl]methyl]-1-phenylethenamine has a molecular weight of 295.37 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-ethyl-3-(1-phosphanylideneethyl)phenyl]methyl]-1-phenylethenamine is sourced from PubChem (CID 143421302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).