(R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine

C24H22NP — CID 101255313

IUPAC(R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine
SMILESN[C@@H](C1=C(P(c2ccccc2)c2ccccc2)C=CC1)c1ccccc1
InChIInChI=1S/C24H22NP/c25-24(19-11-4-1-5-12-19)22-17-10-18-23(22)26(20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-16,18,24H,17,25H2/t24-/m1/s1
InChIKeyTUERDWLEDJMRGF-XMMPIXPASA-N
MW355.42 g/mol
LogP5.03
Rot. Bonds5

About (R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine

(R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine (PubChem CID 101255313) has the molecular formula C24H22NP and a molecular weight of 355.42 g/mol. Its IUPAC name is (R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine.

Molecular Properties

Compound Name(R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine
PubChem CID101255313
Molecular FormulaC24H22NP
Molecular Weight355.42 g/mol
Exact Mass355.15
IUPAC Name(R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine
SMILESN[C@@H](C1=C(P(c2ccccc2)c2ccccc2)C=CC1)c1ccccc1
InChIInChI=1S/C24H22NP/c25-24(19-11-4-1-5-12-19)22-17-10-18-23(22)26(20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-16,18,24H,17,25H2/t24-/m1/s1
InChIKeyTUERDWLEDJMRGF-XMMPIXPASA-N
XLogP5.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.42
LogP ≤ 55.03
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

ditert-butyl-[1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
CID 85432950
[(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid
CID 118687805
1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-N,N-dimethylmethanamine
CID 12658202
[2-(2-methylsulfanylbutyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane
CID 102370895
1-[(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]-3-(4-methylphenyl)sulfonylthiourea
CID 118687923
[2-[(S)-(2-diphenylphosphanylphenyl)-methoxymethyl]cyclopenta-1,4-dien-1-yl]-naphthalen-1-yl-phenylphosphane
CID 101405218
(S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine
CID 12637323
[2-[(1S)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
CID 70880363
triphenylphosphane
CID 139056248
[(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane
CID 101070950
diphenylmethanamine;methanethiol
CID 143873840
cyclopenta-1,4-dien-1-yl(diphenyl)phosphane
CID 3524393

Frequently Asked Questions

What is the IUPAC name of (R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine?
The IUPAC name of (R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine (CID 101255313) is (R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine.
What is the SMILES notation for (R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine?
The canonical SMILES for (R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine is N[C@@H](C1=C(P(c2ccccc2)c2ccccc2)C=CC1)c1ccccc1.
What is the InChIKey of (R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine?
The InChIKey is TUERDWLEDJMRGF-XMMPIXPASA-N. The full InChI is InChI=1S/C24H22NP/c25-24(19-11-4-1-5-12-19)22-17-10-18-23(22)26(20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-16,18,24H,17,25H2/t24-/m1/s1.
What are the key properties of (R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine?
(R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine has a molecular weight of 355.42 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine is sourced from PubChem (CID 101255313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).