(2S)-4-methyl-N-[(2-methylphenyl)-phenylphosphoryl]pentan-2-amine

C19H26NOP — CID 132535903

IUPAC(2S)-4-methyl-N-[(2-methylphenyl)-phenylphosphoryl]pentan-2-amine
SMILESCc1ccccc1P(=O)(N[C@@H](C)CC(C)C)c1ccccc1
InChIInChI=1S/C19H26NOP/c1-15(2)14-17(4)20-22(21,18-11-6-5-7-12-18)19-13-9-8-10-16(19)3/h5-13,15,17H,14H2,1-4H3,(H,20,21)/t17-,22?/m0/s1
InChIKeyPARVNGUDBPVEFA-LBOXEOMUSA-N
MW315.40 g/mol
LogP4.25
Rot. Bonds6

About (2S)-4-methyl-N-[(2-methylphenyl)-phenylphosphoryl]pentan-2-amine

(2S)-4-methyl-N-[(2-methylphenyl)-phenylphosphoryl]pentan-2-amine (PubChem CID 132535903) has the molecular formula C19H26NOP and a molecular weight of 315.40 g/mol. Its IUPAC name is (2S)-4-methyl-N-[(2-methylphenyl)-phenylphosphoryl]pentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-N-[(2-methylphenyl)-phenylphosphoryl]pentan-2-amine
PubChem CID132535903
Molecular FormulaC19H26NOP
Molecular Weight315.40 g/mol
Exact Mass315.18
IUPAC Name(2S)-4-methyl-N-[(2-methylphenyl)-phenylphosphoryl]pentan-2-amine
SMILESCc1ccccc1P(=O)(N[C@@H](C)CC(C)C)c1ccccc1
InChIInChI=1S/C19H26NOP/c1-15(2)14-17(4)20-22(21,18-11-6-5-7-12-18)19-13-9-8-10-16(19)3/h5-13,15,17H,14H2,1-4H3,(H,20,21)/t17-,22?/m0/s1
InChIKeyPARVNGUDBPVEFA-LBOXEOMUSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 54.25
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-(2-methylphenyl)propan-1-amine
CID 101267693
2-methyl-N-(4-methylpentan-2-yl)aniline
CID 43196655
1-(2-diphenylphosphorylphenyl)-2-methylbenzene
CID 15531741
2-(diphenylphosphorylamino)-3-methylbutan-1-ol
CID 23241768
N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine
CID 72834270
1-[ethoxy(phenyl)phosphoryl]-3-methyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 101246297
1-[ethoxy(phenyl)phosphoryl]-N-[(1S)-2-methoxy-1-phenylethyl]-3-methylbutan-1-amine
CID 101246300
(2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide
CID 129387880
1-methyl-2-[phenoxy(phenyl)phosphoryl]benzene
CID 628026
(2S)-2-[bis(2-methylphenyl)phosphorylamino]-2-phenylpentanenitrile
CID 102523352
(1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine
CID 101267694
N-diphenylphosphoryl-2-nitro-1-phenylpropan-1-amine
CID 72811858

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-N-[(2-methylphenyl)-phenylphosphoryl]pentan-2-amine?
The IUPAC name of (2S)-4-methyl-N-[(2-methylphenyl)-phenylphosphoryl]pentan-2-amine (CID 132535903) is (2S)-4-methyl-N-[(2-methylphenyl)-phenylphosphoryl]pentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-N-[(2-methylphenyl)-phenylphosphoryl]pentan-2-amine?
The canonical SMILES for (2S)-4-methyl-N-[(2-methylphenyl)-phenylphosphoryl]pentan-2-amine is Cc1ccccc1P(=O)(N[C@@H](C)CC(C)C)c1ccccc1.
What is the InChIKey of (2S)-4-methyl-N-[(2-methylphenyl)-phenylphosphoryl]pentan-2-amine?
The InChIKey is PARVNGUDBPVEFA-LBOXEOMUSA-N. The full InChI is InChI=1S/C19H26NOP/c1-15(2)14-17(4)20-22(21,18-11-6-5-7-12-18)19-13-9-8-10-16(19)3/h5-13,15,17H,14H2,1-4H3,(H,20,21)/t17-,22?/m0/s1.
What are the key properties of (2S)-4-methyl-N-[(2-methylphenyl)-phenylphosphoryl]pentan-2-amine?
(2S)-4-methyl-N-[(2-methylphenyl)-phenylphosphoryl]pentan-2-amine has a molecular weight of 315.40 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-N-[(2-methylphenyl)-phenylphosphoryl]pentan-2-amine is sourced from PubChem (CID 132535903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).