(1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine

C21H22NOP — CID 101267694

IUPAC(1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@H](C)NP(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H22NOP/c1-17-10-9-11-19(16-17)18(2)22-24(23,20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-16,18H,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyFVQWQENAXWIOCF-SFHVURJKSA-N
MW335.39 g/mol
LogP4.57
Rot. Bonds5

About (1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine

(1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine (PubChem CID 101267694) has the molecular formula C21H22NOP and a molecular weight of 335.39 g/mol. Its IUPAC name is (1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine
PubChem CID101267694
Molecular FormulaC21H22NOP
Molecular Weight335.39 g/mol
Exact Mass335.14
IUPAC Name(1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@H](C)NP(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H22NOP/c1-17-10-9-11-19(16-17)18(2)22-24(23,20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-16,18H,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyFVQWQENAXWIOCF-SFHVURJKSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.57
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-diphenylphosphoryl-1-(4-methylphenyl)ethanamine
CID 72834270
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
2-[(diphenylphosphorylamino)-(3-methylphenyl)methyl]-3-methylbut-3-en-1-ol
CID 132551525
N-methoxy-1-(3-methylphenyl)ethanamine
CID 79039060
(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
CID 81364217
2-[[(1R)-1-(3-methylphenyl)ethyl]carbamoyl]benzoic acid
CID 81369000
2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanoic acid
CID 81363547
N-[(1S)-1-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 81364263
N-[(1S)-1-(3-methylphenyl)ethyl]methanesulfonamide
CID 81360320
N',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine
CID 43768398
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
phenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate
CID 81360922

Frequently Asked Questions

What is the IUPAC name of (1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine (CID 101267694) is (1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine is Cc1cccc([C@H](C)NP(=O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine?
The InChIKey is FVQWQENAXWIOCF-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22NOP/c1-17-10-9-11-19(16-17)18(2)22-24(23,20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-16,18H,1-2H3,(H,22,23)/t18-/m0/s1.
What are the key properties of (1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine?
(1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine has a molecular weight of 335.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 101267694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).