N-[(3-diphenylphosphanylphenyl)methyl]propan-2-amine

C22H24NP — CID 102047122

IUPACN-[(3-diphenylphosphanylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1cccc(P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H24NP/c1-18(2)23-17-19-10-9-15-22(16-19)24(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,18,23H,17H2,1-2H3
InChIKeyXWUJKBRSKZYDLM-UHFFFAOYSA-N
MW333.42 g/mol
LogP3.94
Rot. Bonds6

About N-[(3-diphenylphosphanylphenyl)methyl]propan-2-amine

N-[(3-diphenylphosphanylphenyl)methyl]propan-2-amine (PubChem CID 102047122) has the molecular formula C22H24NP and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[(3-diphenylphosphanylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-diphenylphosphanylphenyl)methyl]propan-2-amine
PubChem CID102047122
Molecular FormulaC22H24NP
Molecular Weight333.42 g/mol
Exact Mass333.16
IUPAC NameN-[(3-diphenylphosphanylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1cccc(P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H24NP/c1-18(2)23-17-19-10-9-15-22(16-19)24(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,18,23H,17H2,1-2H3
InChIKeyXWUJKBRSKZYDLM-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 53.94
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-benzylpropan-2-amine;cumene;methane;yttrium
CID 159029176
N-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine
CID 153313858
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
N-benzylpropan-2-amine;propan-2-yloxybenzene
CID 169144448
N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
CID 39368943
N-[(4-diphenylphosphanylphenyl)methyl]-1-phenylmethanamine
CID 24878642
N-benzyl-2-deuterio-3-methylbutan-2-amine
CID 155272409
N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine
CID 66349042
N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine
CID 116992438
N-benzyl-1-silylethanamine
CID 173405128
N-[[3-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 66346908
N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine
CID 63424152

Frequently Asked Questions

What is the IUPAC name of N-[(3-diphenylphosphanylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(3-diphenylphosphanylphenyl)methyl]propan-2-amine (CID 102047122) is N-[(3-diphenylphosphanylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-diphenylphosphanylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-diphenylphosphanylphenyl)methyl]propan-2-amine is CC(C)NCc1cccc(P(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[(3-diphenylphosphanylphenyl)methyl]propan-2-amine?
The InChIKey is XWUJKBRSKZYDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NP/c1-18(2)23-17-19-10-9-15-22(16-19)24(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,18,23H,17H2,1-2H3.
What are the key properties of N-[(3-diphenylphosphanylphenyl)methyl]propan-2-amine?
N-[(3-diphenylphosphanylphenyl)methyl]propan-2-amine has a molecular weight of 333.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-diphenylphosphanylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 102047122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).