(1S)-N-diphenylphosphoryl-1-(2-methylphenyl)propan-1-amine

C22H24NOP — CID 101267693

IUPAC(1S)-N-diphenylphosphoryl-1-(2-methylphenyl)propan-1-amine
SMILESCC[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1C
InChIInChI=1S/C22H24NOP/c1-3-22(21-17-11-10-12-18(21)2)23-25(24,19-13-6-4-7-14-19)20-15-8-5-9-16-20/h4-17,22H,3H2,1-2H3,(H,23,24)/t22-/m0/s1
InChIKeyFKZBFQUQKMPDEE-QFIPXVFZSA-N
MW349.41 g/mol
LogP4.96
Rot. Bonds6

About (1S)-N-diphenylphosphoryl-1-(2-methylphenyl)propan-1-amine

(1S)-N-diphenylphosphoryl-1-(2-methylphenyl)propan-1-amine (PubChem CID 101267693) has the molecular formula C22H24NOP and a molecular weight of 349.41 g/mol. Its IUPAC name is (1S)-N-diphenylphosphoryl-1-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-N-diphenylphosphoryl-1-(2-methylphenyl)propan-1-amine
PubChem CID101267693
Molecular FormulaC22H24NOP
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name(1S)-N-diphenylphosphoryl-1-(2-methylphenyl)propan-1-amine
SMILESCC[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1C
InChIInChI=1S/C22H24NOP/c1-3-22(21-17-11-10-12-18(21)2)23-25(24,19-13-6-4-7-14-19)20-15-8-5-9-16-20/h4-17,22H,3H2,1-2H3,(H,23,24)/t22-/m0/s1
InChIKeyFKZBFQUQKMPDEE-QFIPXVFZSA-N
XLogP4.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.96
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

(1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine
CID 101087200
1-(4-chlorophenyl)-N-diphenylphosphorylbutan-1-amine
CID 102575612
(1S)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylpropan-1-amine
CID 10948881
(1R)-N-diphenylphosphoryl-1-quinolin-3-ylpropan-1-amine
CID 15313628
1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine
CID 177454957
2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide
CID 133184431
4-(benzenesulfonamido)-N-[1-(2-methylphenyl)propyl]benzamide
CID 132663227
(E)-N-diphenylphosphoryl-1-(4-methylphenyl)pent-1-en-3-amine
CID 10809475
(1R)-N-diphenylphosphoryl-1-(4-methylphenyl)-2-nitroethanamine
CID 101018797
3-(2-ethylbutanoylamino)-3-(2-methylphenyl)propanoic acid
CID 120606642
(2S)-4-methyl-N-[(2-methylphenyl)-phenylphosphoryl]pentan-2-amine
CID 132535903
(1S)-N-diphenylphosphoryl-1-phenylbut-3-en-1-amine
CID 139116114

Frequently Asked Questions

What is the IUPAC name of (1S)-N-diphenylphosphoryl-1-(2-methylphenyl)propan-1-amine?
The IUPAC name of (1S)-N-diphenylphosphoryl-1-(2-methylphenyl)propan-1-amine (CID 101267693) is (1S)-N-diphenylphosphoryl-1-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for (1S)-N-diphenylphosphoryl-1-(2-methylphenyl)propan-1-amine?
The canonical SMILES for (1S)-N-diphenylphosphoryl-1-(2-methylphenyl)propan-1-amine is CC[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1C.
What is the InChIKey of (1S)-N-diphenylphosphoryl-1-(2-methylphenyl)propan-1-amine?
The InChIKey is FKZBFQUQKMPDEE-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24NOP/c1-3-22(21-17-11-10-12-18(21)2)23-25(24,19-13-6-4-7-14-19)20-15-8-5-9-16-20/h4-17,22H,3H2,1-2H3,(H,23,24)/t22-/m0/s1.
What are the key properties of (1S)-N-diphenylphosphoryl-1-(2-methylphenyl)propan-1-amine?
(1S)-N-diphenylphosphoryl-1-(2-methylphenyl)propan-1-amine has a molecular weight of 349.41 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-diphenylphosphoryl-1-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 101267693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).