(1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine

C22H24NO2P — CID 101087200

IUPAC(1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine
SMILESCC[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C22H24NO2P/c1-3-22(18-14-16-19(25-2)17-15-18)23-26(24,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,22H,3H2,1-2H3,(H,23,24)/t22-/m0/s1
InChIKeyJMIRKPWKWOODRA-QFIPXVFZSA-N
MW365.41 g/mol
LogP4.66
Rot. Bonds7

About (1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine

(1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine (PubChem CID 101087200) has the molecular formula C22H24NO2P and a molecular weight of 365.41 g/mol. Its IUPAC name is (1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine
PubChem CID101087200
Molecular FormulaC22H24NO2P
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name(1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine
SMILESCC[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C22H24NO2P/c1-3-22(18-14-16-19(25-2)17-15-18)23-26(24,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,22H,3H2,1-2H3,(H,23,24)/t22-/m0/s1
InChIKeyJMIRKPWKWOODRA-QFIPXVFZSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylpropan-1-amine
CID 10948881
1-(4-chlorophenyl)-N-diphenylphosphorylbutan-1-amine
CID 102575612
(1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine
CID 101481551
(1S,3S)-3-N-diphenylphosphoryl-1-(4-methoxyphenyl)-4-phenylbutane-1,3-diamine
CID 100962675
3-[(diphenylphosphorylamino)-(4-methoxyphenyl)methyl]but-3-en-2-one
CID 12024911
(1R)-N-diphenylphosphoryl-1-quinolin-3-ylpropan-1-amine
CID 15313628
(1R,2R)-N-diphenylphosphoryl-N'-[(4-methoxyphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 163522190
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
(2S,4S)-N-diphenylphosphoryl-4-isocyano-4-(4-methoxyphenyl)-1-phenylbutan-2-amine
CID 100962663
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
CID 43027690
2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005

Frequently Asked Questions

What is the IUPAC name of (1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of (1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine (CID 101087200) is (1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for (1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for (1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine is CC[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of (1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine?
The InChIKey is JMIRKPWKWOODRA-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24NO2P/c1-3-22(18-14-16-19(25-2)17-15-18)23-26(24,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,22H,3H2,1-2H3,(H,23,24)/t22-/m0/s1.
What are the key properties of (1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine?
(1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine has a molecular weight of 365.41 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 101087200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).