N-benzyl-1-diphenylphosphanyl-1-phenylmethanamine

C26H24NP — CID 11153635

IUPACN-benzyl-1-diphenylphosphanyl-1-phenylmethanamine
SMILESc1ccc(CNC(c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24NP/c1-5-13-22(14-6-1)21-27-26(23-15-7-2-8-16-23)28(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27H,21H2
InChIKeyWFHBEAZSPFDNRA-UHFFFAOYSA-N
MW381.46 g/mol
LogP5.61
Rot. Bonds7

About N-benzyl-1-diphenylphosphanyl-1-phenylmethanamine

N-benzyl-1-diphenylphosphanyl-1-phenylmethanamine (PubChem CID 11153635) has the molecular formula C26H24NP and a molecular weight of 381.46 g/mol. Its IUPAC name is N-benzyl-1-diphenylphosphanyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-1-diphenylphosphanyl-1-phenylmethanamine
PubChem CID11153635
Molecular FormulaC26H24NP
Molecular Weight381.46 g/mol
Exact Mass381.16
IUPAC NameN-benzyl-1-diphenylphosphanyl-1-phenylmethanamine
SMILESc1ccc(CNC(c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24NP/c1-5-13-22(14-6-1)21-27-26(23-15-7-2-8-16-23)28(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27H,21H2
InChIKeyWFHBEAZSPFDNRA-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.46
LogP ≤ 55.61
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-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine
CID 153313858
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
N-benzyl-1-silylethanamine
CID 173405128
N'-benzyl-N-methyl-1-phenylmethanediamine
CID 118518516
(2R,3R)-N-benzyl-3-phenylbutan-2-amine
CID 101198951
(2S)-2-(benzylamino)-2-phenylacetonitrile
CID 10619409
2-diphenylphosphanyl-N-[diphenylphosphanyl-(4-methoxyphenyl)methyl]ethanamine
CID 101232450
N'-(1-adamantyl)-N-benzyl-1-diphenylphosphanylmethanediamine
CID 153316720
N-[(3-diphenylphosphanylphenyl)methyl]propan-2-amine
CID 102047122
N-benzylpropan-2-amine;cumene;methane;yttrium
CID 159029176
N-benzyl-2-ethyl-1-phenylbutan-1-amine
CID 43734682
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-diphenylphosphanyl-1-phenylmethanamine?
The IUPAC name of N-benzyl-1-diphenylphosphanyl-1-phenylmethanamine (CID 11153635) is N-benzyl-1-diphenylphosphanyl-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-1-diphenylphosphanyl-1-phenylmethanamine?
The canonical SMILES for N-benzyl-1-diphenylphosphanyl-1-phenylmethanamine is c1ccc(CNC(c2ccccc2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-diphenylphosphanyl-1-phenylmethanamine?
The InChIKey is WFHBEAZSPFDNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24NP/c1-5-13-22(14-6-1)21-27-26(23-15-7-2-8-16-23)28(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27H,21H2.
What are the key properties of N-benzyl-1-diphenylphosphanyl-1-phenylmethanamine?
N-benzyl-1-diphenylphosphanyl-1-phenylmethanamine has a molecular weight of 381.46 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-diphenylphosphanyl-1-phenylmethanamine is sourced from PubChem (CID 11153635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).