N-[(4-chlorophenoxy)-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine

C18H32ClN2OP — CID 139330698

IUPACN-[(4-chlorophenoxy)-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(Oc1ccc(Cl)cc1)N(C(C)C)C(C)C
InChIInChI=1S/C18H32ClN2OP/c1-13(2)20(14(3)4)23(21(15(5)6)16(7)8)22-18-11-9-17(19)10-12-18/h9-16H,1-8H3
InChIKeyUGYBZGWPMWEODN-UHFFFAOYSA-N
MW358.89 g/mol
LogP6.18
Rot. Bonds8

About N-[(4-chlorophenoxy)-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine

N-[(4-chlorophenoxy)-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 139330698) has the molecular formula C18H32ClN2OP and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[(4-chlorophenoxy)-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenoxy)-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID139330698
Molecular FormulaC18H32ClN2OP
Molecular Weight358.89 g/mol
Exact Mass358.19
IUPAC NameN-[(4-chlorophenoxy)-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(Oc1ccc(Cl)cc1)N(C(C)C)C(C)C
InChIInChI=1S/C18H32ClN2OP/c1-13(2)20(14(3)4)23(21(15(5)6)16(7)8)22-18-11-9-17(19)10-12-18/h9-16H,1-8H3
InChIKeyUGYBZGWPMWEODN-UHFFFAOYSA-N
XLogP6.18
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.89
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(4-chlorophenoxy)-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[(4-chlorophenoxy)-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine (CID 139330698) is N-[(4-chlorophenoxy)-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[(4-chlorophenoxy)-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[(4-chlorophenoxy)-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)P(Oc1ccc(Cl)cc1)N(C(C)C)C(C)C.
What is the InChIKey of N-[(4-chlorophenoxy)-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is UGYBZGWPMWEODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32ClN2OP/c1-13(2)20(14(3)4)23(21(15(5)6)16(7)8)22-18-11-9-17(19)10-12-18/h9-16H,1-8H3.
What are the key properties of N-[(4-chlorophenoxy)-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine?
N-[(4-chlorophenoxy)-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 358.89 g/mol, XLogP of 6.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenoxy)-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 139330698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).