N-(1-dimethoxyphosphorylcyclohexyl)-4-methylaniline

C15H24NO3P — CID 2053661

IUPACN-(1-dimethoxyphosphorylcyclohexyl)-4-methylaniline
SMILESCOP(=O)(OC)C1(Nc2ccc(C)cc2)CCCCC1
InChIInChI=1S/C15H24NO3P/c1-13-7-9-14(10-8-13)16-15(11-5-4-6-12-15)20(17,18-2)19-3/h7-10,16H,4-6,11-12H2,1-3H3
InChIKeyRMBQRFBEFYHBGW-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.55
Rot. Bonds5

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

N-(1-dimethoxyphosphorylcyclohexyl)-4-methylaniline (PubChem CID 2053661) has the molecular formula C15H24NO3P and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(1-dimethoxyphosphorylcyclohexyl)-4-methylaniline.

Molecular Properties

Compound NameN-(1-dimethoxyphosphorylcyclohexyl)-4-methylaniline
PubChem CID2053661
Molecular FormulaC15H24NO3P
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC NameN-(1-dimethoxyphosphorylcyclohexyl)-4-methylaniline
SMILESCOP(=O)(OC)C1(Nc2ccc(C)cc2)CCCCC1
InChIInChI=1S/C15H24NO3P/c1-13-7-9-14(10-8-13)16-15(11-5-4-6-12-15)20(17,18-2)19-3/h7-10,16H,4-6,11-12H2,1-3H3
InChIKeyRMBQRFBEFYHBGW-UHFFFAOYSA-N
XLogP4.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.55
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-dimethoxyphosphorylcyclohexyl)-4-methylaniline?
The IUPAC name of N-(1-dimethoxyphosphorylcyclohexyl)-4-methylaniline (CID 2053661) is N-(1-dimethoxyphosphorylcyclohexyl)-4-methylaniline.
What is the SMILES notation for N-(1-dimethoxyphosphorylcyclohexyl)-4-methylaniline?
The canonical SMILES for N-(1-dimethoxyphosphorylcyclohexyl)-4-methylaniline is COP(=O)(OC)C1(Nc2ccc(C)cc2)CCCCC1.
What is the InChIKey of N-(1-dimethoxyphosphorylcyclohexyl)-4-methylaniline?
The InChIKey is RMBQRFBEFYHBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NO3P/c1-13-7-9-14(10-8-13)16-15(11-5-4-6-12-15)20(17,18-2)19-3/h7-10,16H,4-6,11-12H2,1-3H3.
What are the key properties of N-(1-dimethoxyphosphorylcyclohexyl)-4-methylaniline?
N-(1-dimethoxyphosphorylcyclohexyl)-4-methylaniline has a molecular weight of 297.33 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-dimethoxyphosphorylcyclohexyl)-4-methylaniline is sourced from PubChem (CID 2053661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).