2-bis(2,4,6-trimethoxyphenyl)phosphanyl-1-N,3-N-dimethylbenzene-1,3-diamine

C26H33N2O6P — CID 146385789

IUPAC2-bis(2,4,6-trimethoxyphenyl)phosphanyl-1-N,3-N-dimethylbenzene-1,3-diamine
SMILESCNc1cccc(NC)c1P(c1c(OC)cc(OC)cc1OC)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C26H33N2O6P/c1-27-18-10-9-11-19(28-2)24(18)35(25-20(31-5)12-16(29-3)13-21(25)32-6)26-22(33-7)14-17(30-4)15-23(26)34-8/h9-15,27-28H,1-8H3
InChIKeyLXGOTSLMOJFMGS-UHFFFAOYSA-N
MW500.53 g/mol
LogP3.58
Rot. Bonds11

About 2-bis(2,4,6-trimethoxyphenyl)phosphanyl-1-N,3-N-dimethylbenzene-1,3-diamine

2-bis(2,4,6-trimethoxyphenyl)phosphanyl-1-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 146385789) has the molecular formula C26H33N2O6P and a molecular weight of 500.53 g/mol. Its IUPAC name is 2-bis(2,4,6-trimethoxyphenyl)phosphanyl-1-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name2-bis(2,4,6-trimethoxyphenyl)phosphanyl-1-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID146385789
Molecular FormulaC26H33N2O6P
Molecular Weight500.53 g/mol
Exact Mass500.21
IUPAC Name2-bis(2,4,6-trimethoxyphenyl)phosphanyl-1-N,3-N-dimethylbenzene-1,3-diamine
SMILESCNc1cccc(NC)c1P(c1c(OC)cc(OC)cc1OC)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C26H33N2O6P/c1-27-18-10-9-11-19(28-2)24(18)35(25-20(31-5)12-16(29-3)13-21(25)32-6)26-22(33-7)14-17(30-4)15-23(26)34-8/h9-15,27-28H,1-8H3
InChIKeyLXGOTSLMOJFMGS-UHFFFAOYSA-N
XLogP3.58
TPSA79.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

phenyl-bis(2,4,6-trimethoxyphenyl)phosphane
CID 54206257
phenyl-(2-phenylphosphanylphenyl)phosphane;tris(2,4,6-trimethoxyphenyl)phosphane
CID 88851633
2,4-dimethoxy-N-methylaniline;ethane
CID 143206191
2-(3-methoxyphenoxy)-N-methylaniline
CID 167220736
N-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline
CID 171920076
2-(3-methoxy-5-methylphenoxy)-N-methylaniline
CID 176939009
6-methoxy-N-methylnaphthalen-1-amine
CID 15933755
2-methoxy-3-(methylamino)phenol
CID 68789660
4-methoxy-1-N,8-N-dimethylnaphthalene-1,8-diamine
CID 123748583
2-tert-butyl-6-[phenyl-(2,4,6-trimethoxyphenyl)phosphanyl]phenol
CID 58418968
5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine
CID 80722898
1-[2-methoxy-6-(methylamino)phenyl]ethenethiol
CID 142076504

Frequently Asked Questions

What is the IUPAC name of 2-bis(2,4,6-trimethoxyphenyl)phosphanyl-1-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 2-bis(2,4,6-trimethoxyphenyl)phosphanyl-1-N,3-N-dimethylbenzene-1,3-diamine (CID 146385789) is 2-bis(2,4,6-trimethoxyphenyl)phosphanyl-1-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 2-bis(2,4,6-trimethoxyphenyl)phosphanyl-1-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 2-bis(2,4,6-trimethoxyphenyl)phosphanyl-1-N,3-N-dimethylbenzene-1,3-diamine is CNc1cccc(NC)c1P(c1c(OC)cc(OC)cc1OC)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of 2-bis(2,4,6-trimethoxyphenyl)phosphanyl-1-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is LXGOTSLMOJFMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N2O6P/c1-27-18-10-9-11-19(28-2)24(18)35(25-20(31-5)12-16(29-3)13-21(25)32-6)26-22(33-7)14-17(30-4)15-23(26)34-8/h9-15,27-28H,1-8H3.
What are the key properties of 2-bis(2,4,6-trimethoxyphenyl)phosphanyl-1-N,3-N-dimethylbenzene-1,3-diamine?
2-bis(2,4,6-trimethoxyphenyl)phosphanyl-1-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 500.53 g/mol, XLogP of 3.58, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(2,4,6-trimethoxyphenyl)phosphanyl-1-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 146385789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).