(1S)-N-(3,5-dimethylphenyl)-1-phenylphosphinan-2-amine

C19H24NP — CID 155898598

IUPAC(1S)-N-(3,5-dimethylphenyl)-1-phenylphosphinan-2-amine
SMILESCc1cc(C)cc(NC2CCCC[P@@]2c2ccccc2)c1
InChIInChI=1S/C19H24NP/c1-15-12-16(2)14-17(13-15)20-19-10-6-7-11-21(19)18-8-4-3-5-9-18/h3-5,8-9,12-14,19-20H,6-7,10-11H2,1-2H3/t19?,21-/m0/s1
InChIKeyURJKUDFKPXUDDL-QWAKEFERSA-N
MW297.38 g/mol
LogP5.03
Rot. Bonds3

About (1S)-N-(3,5-dimethylphenyl)-1-phenylphosphinan-2-amine

(1S)-N-(3,5-dimethylphenyl)-1-phenylphosphinan-2-amine (PubChem CID 155898598) has the molecular formula C19H24NP and a molecular weight of 297.38 g/mol. Its IUPAC name is (1S)-N-(3,5-dimethylphenyl)-1-phenylphosphinan-2-amine.

Molecular Properties

Compound Name(1S)-N-(3,5-dimethylphenyl)-1-phenylphosphinan-2-amine
PubChem CID155898598
Molecular FormulaC19H24NP
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC Name(1S)-N-(3,5-dimethylphenyl)-1-phenylphosphinan-2-amine
SMILESCc1cc(C)cc(NC2CCCC[P@@]2c2ccccc2)c1
InChIInChI=1S/C19H24NP/c1-15-12-16(2)14-17(13-15)20-19-10-6-7-11-21(19)18-8-4-3-5-9-18/h3-5,8-9,12-14,19-20H,6-7,10-11H2,1-2H3/t19?,21-/m0/s1
InChIKeyURJKUDFKPXUDDL-QWAKEFERSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.38
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-(3,5-dimethylphenyl)-1-phenylphosphinan-2-amine?
The IUPAC name of (1S)-N-(3,5-dimethylphenyl)-1-phenylphosphinan-2-amine (CID 155898598) is (1S)-N-(3,5-dimethylphenyl)-1-phenylphosphinan-2-amine.
What is the SMILES notation for (1S)-N-(3,5-dimethylphenyl)-1-phenylphosphinan-2-amine?
The canonical SMILES for (1S)-N-(3,5-dimethylphenyl)-1-phenylphosphinan-2-amine is Cc1cc(C)cc(NC2CCCC[P@@]2c2ccccc2)c1.
What is the InChIKey of (1S)-N-(3,5-dimethylphenyl)-1-phenylphosphinan-2-amine?
The InChIKey is URJKUDFKPXUDDL-QWAKEFERSA-N. The full InChI is InChI=1S/C19H24NP/c1-15-12-16(2)14-17(13-15)20-19-10-6-7-11-21(19)18-8-4-3-5-9-18/h3-5,8-9,12-14,19-20H,6-7,10-11H2,1-2H3/t19?,21-/m0/s1.
What are the key properties of (1S)-N-(3,5-dimethylphenyl)-1-phenylphosphinan-2-amine?
(1S)-N-(3,5-dimethylphenyl)-1-phenylphosphinan-2-amine has a molecular weight of 297.38 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(3,5-dimethylphenyl)-1-phenylphosphinan-2-amine is sourced from PubChem (CID 155898598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).