N-di(propan-2-yl)phosphanyl-3-di(propan-2-yl)phosphanyloxyaniline

C18H33NOP2 — CID 132513517

IUPACN-di(propan-2-yl)phosphanyl-3-di(propan-2-yl)phosphanyloxyaniline
SMILESCC(C)P(Nc1cccc(OP(C(C)C)C(C)C)c1)C(C)C
InChIInChI=1S/C18H33NOP2/c1-13(2)21(14(3)4)19-17-10-9-11-18(12-17)20-22(15(5)6)16(7)8/h9-16,19H,1-8H3
InChIKeyCFBLWBOIJREDAL-UHFFFAOYSA-N
MW341.42 g/mol
LogP6.90
Rot. Bonds8

About N-di(propan-2-yl)phosphanyl-3-di(propan-2-yl)phosphanyloxyaniline

N-di(propan-2-yl)phosphanyl-3-di(propan-2-yl)phosphanyloxyaniline (PubChem CID 132513517) has the molecular formula C18H33NOP2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-di(propan-2-yl)phosphanyl-3-di(propan-2-yl)phosphanyloxyaniline.

Molecular Properties

Compound NameN-di(propan-2-yl)phosphanyl-3-di(propan-2-yl)phosphanyloxyaniline
PubChem CID132513517
Molecular FormulaC18H33NOP2
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-di(propan-2-yl)phosphanyl-3-di(propan-2-yl)phosphanyloxyaniline
SMILESCC(C)P(Nc1cccc(OP(C(C)C)C(C)C)c1)C(C)C
InChIInChI=1S/C18H33NOP2/c1-13(2)21(14(3)4)19-17-10-9-11-18(12-17)20-22(15(5)6)16(7)8/h9-16,19H,1-8H3
InChIKeyCFBLWBOIJREDAL-UHFFFAOYSA-N
XLogP6.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.42
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(3-methylphenoxy)-propan-2-ylphosphane
CID 175546756
3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93283290
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methoxyaniline
CID 143680816
[3-(2-methylpropoxy)phenyl]hydrazine
CID 55281229
3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
CID 28548125
(3-dimethylphosphanyloxyphenoxy)-dimethylphosphane
CID 101453085
3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline
CID 68822883
3-(difluoromethoxy)-N-(2-methylpropyl)aniline
CID 43698814
3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline
CID 43720877
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
3-ethoxy-N-[(2R)-pentan-2-yl]aniline
CID 93363089

Frequently Asked Questions

What is the IUPAC name of N-di(propan-2-yl)phosphanyl-3-di(propan-2-yl)phosphanyloxyaniline?
The IUPAC name of N-di(propan-2-yl)phosphanyl-3-di(propan-2-yl)phosphanyloxyaniline (CID 132513517) is N-di(propan-2-yl)phosphanyl-3-di(propan-2-yl)phosphanyloxyaniline.
What is the SMILES notation for N-di(propan-2-yl)phosphanyl-3-di(propan-2-yl)phosphanyloxyaniline?
The canonical SMILES for N-di(propan-2-yl)phosphanyl-3-di(propan-2-yl)phosphanyloxyaniline is CC(C)P(Nc1cccc(OP(C(C)C)C(C)C)c1)C(C)C.
What is the InChIKey of N-di(propan-2-yl)phosphanyl-3-di(propan-2-yl)phosphanyloxyaniline?
The InChIKey is CFBLWBOIJREDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NOP2/c1-13(2)21(14(3)4)19-17-10-9-11-18(12-17)20-22(15(5)6)16(7)8/h9-16,19H,1-8H3.
What are the key properties of N-di(propan-2-yl)phosphanyl-3-di(propan-2-yl)phosphanyloxyaniline?
N-di(propan-2-yl)phosphanyl-3-di(propan-2-yl)phosphanyloxyaniline has a molecular weight of 341.42 g/mol, XLogP of 6.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-di(propan-2-yl)phosphanyl-3-di(propan-2-yl)phosphanyloxyaniline is sourced from PubChem (CID 132513517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).