N-(1-ditert-butylphosphanylpropan-2-yl)-2,6-dimethylaniline

C19H34NP — CID 59080054

IUPACN-(1-ditert-butylphosphanylpropan-2-yl)-2,6-dimethylaniline
SMILESCc1cccc(C)c1NC(C)CP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H34NP/c1-14-11-10-12-15(2)17(14)20-16(3)13-21(18(4,5)6)19(7,8)9/h10-12,16,20H,13H2,1-9H3
InChIKeyYEJBQRWJKBVNAC-UHFFFAOYSA-N
MW307.46 g/mol
LogP6.18
Rot. Bonds4

About N-(1-ditert-butylphosphanylpropan-2-yl)-2,6-dimethylaniline

N-(1-ditert-butylphosphanylpropan-2-yl)-2,6-dimethylaniline (PubChem CID 59080054) has the molecular formula C19H34NP and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(1-ditert-butylphosphanylpropan-2-yl)-2,6-dimethylaniline.

Molecular Properties

Compound NameN-(1-ditert-butylphosphanylpropan-2-yl)-2,6-dimethylaniline
PubChem CID59080054
Molecular FormulaC19H34NP
Molecular Weight307.46 g/mol
Exact Mass307.24
IUPAC NameN-(1-ditert-butylphosphanylpropan-2-yl)-2,6-dimethylaniline
SMILESCc1cccc(C)c1NC(C)CP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H34NP/c1-14-11-10-12-15(2)17(14)20-16(3)13-21(18(4,5)6)19(7,8)9/h10-12,16,20H,13H2,1-9H3
InChIKeyYEJBQRWJKBVNAC-UHFFFAOYSA-N
XLogP6.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.46
LogP ≤ 56.18
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

N-(1-methoxypropan-2-yl)-2,6-dimethylaniline
CID 10899497
3-(2,6-dimethylanilino)butanethioamide
CID 82080364
2-ditert-butylphosphanyl-N-(2,6-dimethylphenyl)acetamide
CID 23405277
2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline
CID 66251264
N,N'-bis(2,6-dimethylphenyl)methanediamine
CID 21130207
2,6-dimethyl-N-(4-pyrrolidin-3-ylpentan-2-yl)aniline
CID 134345661
N-but-3-yn-2-yl-2,6-dimethylaniline
CID 13071317
2-fluoro-6-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116535087
2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline
CID 114830872
2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen
CID 155692558
2-(2,6-dimethylanilino)-4-methylpentanenitrile
CID 82127098
N-(1,2-diphenylethyl)-2,6-dimethylaniline
CID 15529270

Frequently Asked Questions

What is the IUPAC name of N-(1-ditert-butylphosphanylpropan-2-yl)-2,6-dimethylaniline?
The IUPAC name of N-(1-ditert-butylphosphanylpropan-2-yl)-2,6-dimethylaniline (CID 59080054) is N-(1-ditert-butylphosphanylpropan-2-yl)-2,6-dimethylaniline.
What is the SMILES notation for N-(1-ditert-butylphosphanylpropan-2-yl)-2,6-dimethylaniline?
The canonical SMILES for N-(1-ditert-butylphosphanylpropan-2-yl)-2,6-dimethylaniline is Cc1cccc(C)c1NC(C)CP(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-(1-ditert-butylphosphanylpropan-2-yl)-2,6-dimethylaniline?
The InChIKey is YEJBQRWJKBVNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34NP/c1-14-11-10-12-15(2)17(14)20-16(3)13-21(18(4,5)6)19(7,8)9/h10-12,16,20H,13H2,1-9H3.
What are the key properties of N-(1-ditert-butylphosphanylpropan-2-yl)-2,6-dimethylaniline?
N-(1-ditert-butylphosphanylpropan-2-yl)-2,6-dimethylaniline has a molecular weight of 307.46 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ditert-butylphosphanylpropan-2-yl)-2,6-dimethylaniline is sourced from PubChem (CID 59080054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).