N-(1-dipropoxyphosphorylcyclohexyl)-4-methylaniline

C19H32NO3P — CID 3765524

IUPACN-(1-dipropoxyphosphorylcyclohexyl)-4-methylaniline
SMILESCCCOP(=O)(OCCC)C1(Nc2ccc(C)cc2)CCCCC1
InChIInChI=1S/C19H32NO3P/c1-4-15-22-24(21,23-16-5-2)19(13-7-6-8-14-19)20-18-11-9-17(3)10-12-18/h9-12,20H,4-8,13-16H2,1-3H3
InChIKeyFZACXQZFKOSSKN-UHFFFAOYSA-N
MW353.44 g/mol
LogP6.11
Rot. Bonds9

About N-(1-dipropoxyphosphorylcyclohexyl)-4-methylaniline

N-(1-dipropoxyphosphorylcyclohexyl)-4-methylaniline (PubChem CID 3765524) has the molecular formula C19H32NO3P and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(1-dipropoxyphosphorylcyclohexyl)-4-methylaniline.

Molecular Properties

Compound NameN-(1-dipropoxyphosphorylcyclohexyl)-4-methylaniline
PubChem CID3765524
Molecular FormulaC19H32NO3P
Molecular Weight353.44 g/mol
Exact Mass353.21
IUPAC NameN-(1-dipropoxyphosphorylcyclohexyl)-4-methylaniline
SMILESCCCOP(=O)(OCCC)C1(Nc2ccc(C)cc2)CCCCC1
InChIInChI=1S/C19H32NO3P/c1-4-15-22-24(21,23-16-5-2)19(13-7-6-8-14-19)20-18-11-9-17(3)10-12-18/h9-12,20H,4-8,13-16H2,1-3H3
InChIKeyFZACXQZFKOSSKN-UHFFFAOYSA-N
XLogP6.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.44
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-dipropoxyphosphorylcyclohexyl)-4-methylaniline?
The IUPAC name of N-(1-dipropoxyphosphorylcyclohexyl)-4-methylaniline (CID 3765524) is N-(1-dipropoxyphosphorylcyclohexyl)-4-methylaniline.
What is the SMILES notation for N-(1-dipropoxyphosphorylcyclohexyl)-4-methylaniline?
The canonical SMILES for N-(1-dipropoxyphosphorylcyclohexyl)-4-methylaniline is CCCOP(=O)(OCCC)C1(Nc2ccc(C)cc2)CCCCC1.
What is the InChIKey of N-(1-dipropoxyphosphorylcyclohexyl)-4-methylaniline?
The InChIKey is FZACXQZFKOSSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32NO3P/c1-4-15-22-24(21,23-16-5-2)19(13-7-6-8-14-19)20-18-11-9-17(3)10-12-18/h9-12,20H,4-8,13-16H2,1-3H3.
What are the key properties of N-(1-dipropoxyphosphorylcyclohexyl)-4-methylaniline?
N-(1-dipropoxyphosphorylcyclohexyl)-4-methylaniline has a molecular weight of 353.44 g/mol, XLogP of 6.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-dipropoxyphosphorylcyclohexyl)-4-methylaniline is sourced from PubChem (CID 3765524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).