(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine

C27H28NP — CID 87708719

IUPAC(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine
SMILESC[C@H](N[C@H](C)C1C=CC=C1P(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28NP/c1-21(23-13-6-3-7-14-23)28-22(2)26-19-12-20-27(26)29(24-15-8-4-9-16-24)25-17-10-5-11-18-25/h3-22,26,28H,1-2H3/t21-,22+,26?/m0/s1
InChIKeyWOHJONSSLDINJI-SMWUWQHRSA-N
MW397.50 g/mol
LogP5.93
Rot. Bonds7

About (1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine

(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine (PubChem CID 87708719) has the molecular formula C27H28NP and a molecular weight of 397.50 g/mol. Its IUPAC name is (1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine
PubChem CID87708719
Molecular FormulaC27H28NP
Molecular Weight397.50 g/mol
Exact Mass397.20
IUPAC Name(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine
SMILESC[C@H](N[C@H](C)C1C=CC=C1P(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28NP/c1-21(23-13-6-3-7-14-23)28-22(2)26-19-12-20-27(26)29(24-15-8-4-9-16-24)25-17-10-5-11-18-25/h3-22,26,28H,1-2H3/t21-,22+,26?/m0/s1
InChIKeyWOHJONSSLDINJI-SMWUWQHRSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.93
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

(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine
CID 87789367
2-diphenylphosphanyl-N-[(1R)-1-phenylethyl]cyclopenta-2,4-diene-1-carboxamide
CID 101436749
1-[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]-3-[(1R)-1-[(1S)-2-diphenylphosphanylcyclopenta-2,4-dien-1-yl]ethyl]thiourea
CID 118687818
dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 15302428
(5-fluorocyclopenta-1,3-dien-1-yl)-diphenylphosphane
CID 176541891
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
[(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene
CID 141345784
[5-(ethoxymethyl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane
CID 176546157
(1R)-N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-methyl-1-phenylethanamine
CID 101163703
(5-tert-butylsulfanylcyclopenta-1,3-dien-1-yl)-diphenylphosphane
CID 102357317
[(1R)-5-cyclopenta-2,4-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane
CID 102041384

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine?
The IUPAC name of (1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine (CID 87708719) is (1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine?
The canonical SMILES for (1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine is C[C@H](N[C@H](C)C1C=CC=C1P(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine?
The InChIKey is WOHJONSSLDINJI-SMWUWQHRSA-N. The full InChI is InChI=1S/C27H28NP/c1-21(23-13-6-3-7-14-23)28-22(2)26-19-12-20-27(26)29(24-15-8-4-9-16-24)25-17-10-5-11-18-25/h3-22,26,28H,1-2H3/t21-,22+,26?/m0/s1.
What are the key properties of (1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine?
(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine has a molecular weight of 397.50 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine is sourced from PubChem (CID 87708719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).