anilino-benzyl-di(propan-2-yl)phosphanium

C19H27NP+ — CID 101188332

IUPACanilino-benzyl-di(propan-2-yl)phosphanium
SMILESCC(C)[P+](Cc1ccccc1)(Nc1ccccc1)C(C)C
InChIInChI=1S/C19H27NP/c1-16(2)21(17(3)4,15-18-11-7-5-8-12-18)20-19-13-9-6-10-14-19/h5-14,16-17,20H,15H2,1-4H3/q+1
InChIKeyRRXARNHVKVDACH-UHFFFAOYSA-N
MW300.41 g/mol
LogP6.05
Rot. Bonds6

About anilino-benzyl-di(propan-2-yl)phosphanium

anilino-benzyl-di(propan-2-yl)phosphanium (PubChem CID 101188332) has the molecular formula C19H27NP+ and a molecular weight of 300.41 g/mol. Its IUPAC name is anilino-benzyl-di(propan-2-yl)phosphanium.

Molecular Properties

Compound Nameanilino-benzyl-di(propan-2-yl)phosphanium
PubChem CID101188332
Molecular FormulaC19H27NP+
Molecular Weight300.41 g/mol
Exact Mass300.19
IUPAC Nameanilino-benzyl-di(propan-2-yl)phosphanium
SMILESCC(C)[P+](Cc1ccccc1)(Nc1ccccc1)C(C)C
InChIInChI=1S/C19H27NP/c1-16(2)21(17(3)4,15-18-11-7-5-8-12-18)20-19-13-9-6-10-14-19/h5-14,16-17,20H,15H2,1-4H3/q+1
InChIKeyRRXARNHVKVDACH-UHFFFAOYSA-N
XLogP6.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.41
LogP ≤ 56.05
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

N-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline
CID 86314144
benzyl(trimethyl)phosphanium;hydrobromide
CID 154945301
benzyl(trimethyl)phosphanium;hydrochloride
CID 154945285
N-(5-phenylpentan-2-yl)aniline
CID 134967933
ethane;2-methylpropylbenzene
CID 162200929
4-benzyl-N-propan-2-ylaniline
CID 22888879
N-methyl-1-phenylpropan-2-amine
CID 118309477
N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline
CID 55200343
3-fluoro-N-(1-phenylbutan-2-yl)aniline
CID 79007275
1-methyl-2-(1-phenylpropan-2-yl)hydrazine
CID 26556
benzyl-methyl-dipropylphosphanium
CID 23546516
N-(1-phenylpropan-2-yl)thiohydroxylamine
CID 23498394

Frequently Asked Questions

What is the IUPAC name of anilino-benzyl-di(propan-2-yl)phosphanium?
The IUPAC name of anilino-benzyl-di(propan-2-yl)phosphanium (CID 101188332) is anilino-benzyl-di(propan-2-yl)phosphanium.
What is the SMILES notation for anilino-benzyl-di(propan-2-yl)phosphanium?
The canonical SMILES for anilino-benzyl-di(propan-2-yl)phosphanium is CC(C)[P+](Cc1ccccc1)(Nc1ccccc1)C(C)C.
What is the InChIKey of anilino-benzyl-di(propan-2-yl)phosphanium?
The InChIKey is RRXARNHVKVDACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NP/c1-16(2)21(17(3)4,15-18-11-7-5-8-12-18)20-19-13-9-6-10-14-19/h5-14,16-17,20H,15H2,1-4H3/q+1.
What are the key properties of anilino-benzyl-di(propan-2-yl)phosphanium?
anilino-benzyl-di(propan-2-yl)phosphanium has a molecular weight of 300.41 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anilino-benzyl-di(propan-2-yl)phosphanium is sourced from PubChem (CID 101188332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).