N-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine

C23H27N2P — CID 153313858

IUPACN-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine
SMILESCC(C)NC(NCc1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27N2P/c1-19(2)25-23(24-18-20-12-6-3-7-13-20)26(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23-25H,18H2,1-2H3
InChIKeyFAKBKFODPLMOPN-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.19
Rot. Bonds8

About N-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine

N-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine (PubChem CID 153313858) has the molecular formula C23H27N2P and a molecular weight of 362.46 g/mol. Its IUPAC name is N-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine.

Molecular Properties

Compound NameN-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine
PubChem CID153313858
Molecular FormulaC23H27N2P
Molecular Weight362.46 g/mol
Exact Mass362.19
IUPAC NameN-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine
SMILESCC(C)NC(NCc1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27N2P/c1-19(2)25-23(24-18-20-12-6-3-7-13-20)26(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23-25H,18H2,1-2H3
InChIKeyFAKBKFODPLMOPN-UHFFFAOYSA-N
XLogP4.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-diphenylphosphanyl-N-(2-phenylethyl)-N'-propan-2-ylmethanediamine
CID 155215939
N-benzyl-1-diphenylphosphanyl-1-phenylmethanamine
CID 11153635
N-benzyl-1-silylethanamine
CID 173405128
N-[(3-diphenylphosphanylphenyl)methyl]propan-2-amine
CID 102047122
N'-(1-adamantyl)-N-benzyl-1-diphenylphosphanylmethanediamine
CID 153316720
2-(benzylamino)-2-(propan-2-ylamino)acetaldehyde
CID 134382885
N-benzyl-2-deuterio-3-methylbutan-2-amine
CID 155272409
N-benzylpropan-2-amine;propan-2-yloxybenzene
CID 169144448
N,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine
CID 87094669
N-benzyl-4,4-dichlorobutan-2-amine
CID 162493357
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
N-benzyl-1-isocyanoethanamine
CID 21050847

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine?
The IUPAC name of N-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine (CID 153313858) is N-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine.
What is the SMILES notation for N-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine?
The canonical SMILES for N-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine is CC(C)NC(NCc1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine?
The InChIKey is FAKBKFODPLMOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N2P/c1-19(2)25-23(24-18-20-12-6-3-7-13-20)26(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23-25H,18H2,1-2H3.
What are the key properties of N-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine?
N-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine has a molecular weight of 362.46 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine is sourced from PubChem (CID 153313858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).