(1S)-N-[tert-butyl(phenyl)phosphoryl]-1-phenyl-1-(2,4,6-trimethylphenyl)methanamine

C26H32NOP — CID 45379872

IUPAC(1S)-N-[tert-butyl(phenyl)phosphoryl]-1-phenyl-1-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c([C@@H](N[P@](=O)(c2ccccc2)C(C)(C)C)c2ccccc2)c(C)c1
InChIInChI=1S/C26H32NOP/c1-19-17-20(2)24(21(3)18-19)25(22-13-9-7-10-14-22)27-29(28,26(4,5)6)23-15-11-8-12-16-23/h7-18,25H,1-6H3,(H,27,28)/t25-,29-/m0/s1
InChIKeyDNQXAXAIKIQPOY-SVEHJYQDSA-N
MW405.52 g/mol
LogP6.69
Rot. Bonds5

About (1S)-N-[tert-butyl(phenyl)phosphoryl]-1-phenyl-1-(2,4,6-trimethylphenyl)methanamine

(1S)-N-[tert-butyl(phenyl)phosphoryl]-1-phenyl-1-(2,4,6-trimethylphenyl)methanamine (PubChem CID 45379872) has the molecular formula C26H32NOP and a molecular weight of 405.52 g/mol. Its IUPAC name is (1S)-N-[tert-butyl(phenyl)phosphoryl]-1-phenyl-1-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(1S)-N-[tert-butyl(phenyl)phosphoryl]-1-phenyl-1-(2,4,6-trimethylphenyl)methanamine
PubChem CID45379872
Molecular FormulaC26H32NOP
Molecular Weight405.52 g/mol
Exact Mass405.22
IUPAC Name(1S)-N-[tert-butyl(phenyl)phosphoryl]-1-phenyl-1-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c([C@@H](N[P@](=O)(c2ccccc2)C(C)(C)C)c2ccccc2)c(C)c1
InChIInChI=1S/C26H32NOP/c1-19-17-20(2)24(21(3)18-19)25(22-13-9-7-10-14-22)27-29(28,26(4,5)6)23-15-11-8-12-16-23/h7-18,25H,1-6H3,(H,27,28)/t25-,29-/m0/s1
InChIKeyDNQXAXAIKIQPOY-SVEHJYQDSA-N
XLogP6.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 56.69
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

(1R)-N-[tert-butyl(phenyl)phosphoryl]-3-methyl-1-phenylbut-3-en-1-amine
CID 45379873
2-diphenylphosphoryl-2-(2,4,6-trimethylphenyl)acetaldehyde
CID 118481550
1,3,5-trimethyl-2-[phenyl-[[phenyl-(2,4,6-trimethylphenyl)methyl]-(2,4,4-trimethylpentyl)phosphoryl]methyl]benzene
CID 152721389
1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene
CID 90152256
[(2-methoxy-4,6-dimethylphenyl)-phenylmethyl]hydrazine
CID 106682684
(1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine
CID 101267694
N-benzhydryl-2,4-dimethylbenzenesulfonamide
CID 19681706
4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
CID 102313835
2-phenyl-2-(2,4,6-trimethylphenyl)acetate
CID 78425392
N,N-dimethyl-2-phenyl-2-(2,4,6-trimethylphenyl)acetamide
CID 15050087
N-[(2,4-dimethylphenyl)-phenylmethyl]-2,5-dimethylbenzamide
CID 133200142
2,5-dimethyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100743905

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[tert-butyl(phenyl)phosphoryl]-1-phenyl-1-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of (1S)-N-[tert-butyl(phenyl)phosphoryl]-1-phenyl-1-(2,4,6-trimethylphenyl)methanamine (CID 45379872) is (1S)-N-[tert-butyl(phenyl)phosphoryl]-1-phenyl-1-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for (1S)-N-[tert-butyl(phenyl)phosphoryl]-1-phenyl-1-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for (1S)-N-[tert-butyl(phenyl)phosphoryl]-1-phenyl-1-(2,4,6-trimethylphenyl)methanamine is Cc1cc(C)c([C@@H](N[P@](=O)(c2ccccc2)C(C)(C)C)c2ccccc2)c(C)c1.
What is the InChIKey of (1S)-N-[tert-butyl(phenyl)phosphoryl]-1-phenyl-1-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is DNQXAXAIKIQPOY-SVEHJYQDSA-N. The full InChI is InChI=1S/C26H32NOP/c1-19-17-20(2)24(21(3)18-19)25(22-13-9-7-10-14-22)27-29(28,26(4,5)6)23-15-11-8-12-16-23/h7-18,25H,1-6H3,(H,27,28)/t25-,29-/m0/s1.
What are the key properties of (1S)-N-[tert-butyl(phenyl)phosphoryl]-1-phenyl-1-(2,4,6-trimethylphenyl)methanamine?
(1S)-N-[tert-butyl(phenyl)phosphoryl]-1-phenyl-1-(2,4,6-trimethylphenyl)methanamine has a molecular weight of 405.52 g/mol, XLogP of 6.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[tert-butyl(phenyl)phosphoryl]-1-phenyl-1-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 45379872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).