N,N-bis[bis(5-fluoro-2-methoxyphenyl)phosphanyl]methanamine

C29H27F4NO4P2 — CID 101168361

IUPACN,N-bis[bis(5-fluoro-2-methoxyphenyl)phosphanyl]methanamine
SMILESCOc1ccc(F)cc1P(c1cc(F)ccc1OC)N(C)P(c1cc(F)ccc1OC)c1cc(F)ccc1OC
InChIInChI=1S/C29H27F4NO4P2/c1-34(39(26-14-18(30)6-10-22(26)35-2)27-15-19(31)7-11-23(27)36-3)40(28-16-20(32)8-12-24(28)37-4)29-17-21(33)9-13-25(29)38-5/h6-17H,1-5H3
InChIKeyOUOSCXLPCDIINV-UHFFFAOYSA-N
MW591.48 g/mol
LogP5.60
Rot. Bonds10

About N,N-bis[bis(5-fluoro-2-methoxyphenyl)phosphanyl]methanamine

N,N-bis[bis(5-fluoro-2-methoxyphenyl)phosphanyl]methanamine (PubChem CID 101168361) has the molecular formula C29H27F4NO4P2 and a molecular weight of 591.48 g/mol. Its IUPAC name is N,N-bis[bis(5-fluoro-2-methoxyphenyl)phosphanyl]methanamine.

Molecular Properties

Compound NameN,N-bis[bis(5-fluoro-2-methoxyphenyl)phosphanyl]methanamine
PubChem CID101168361
Molecular FormulaC29H27F4NO4P2
Molecular Weight591.48 g/mol
Exact Mass591.14
IUPAC NameN,N-bis[bis(5-fluoro-2-methoxyphenyl)phosphanyl]methanamine
SMILESCOc1ccc(F)cc1P(c1cc(F)ccc1OC)N(C)P(c1cc(F)ccc1OC)c1cc(F)ccc1OC
InChIInChI=1S/C29H27F4NO4P2/c1-34(39(26-14-18(30)6-10-22(26)35-2)27-15-19(31)7-11-23(27)36-3)40(28-16-20(32)8-12-24(28)37-4)29-17-21(33)9-13-25(29)38-5/h6-17H,1-5H3
InChIKeyOUOSCXLPCDIINV-UHFFFAOYSA-N
XLogP5.60
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.48
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 3475822
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1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914588
5-fluoro-2-methoxy-N,N-dimethylbenzenesulfinamide
CID 143919772
CID 89353221
CID 89353221
(5-fluoro-2-methoxyphenyl)-methylboranuide
CID 137328687
N-[dimethylamino-(2-methoxyphenyl)phosphanyl]-N-methylmethanamine
CID 11356569
2-(5-fluoro-2-methoxy-N-methylanilino)propanenitrile
CID 115129963
1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-methylhydrazine
CID 82282134
2-(5-fluoro-2-methoxyphenyl)guanidine
CID 82490728
(5-fluoro-2-methoxyphenyl)methanethiol
CID 24688819

Frequently Asked Questions

What is the IUPAC name of N,N-bis[bis(5-fluoro-2-methoxyphenyl)phosphanyl]methanamine?
The IUPAC name of N,N-bis[bis(5-fluoro-2-methoxyphenyl)phosphanyl]methanamine (CID 101168361) is N,N-bis[bis(5-fluoro-2-methoxyphenyl)phosphanyl]methanamine.
What is the SMILES notation for N,N-bis[bis(5-fluoro-2-methoxyphenyl)phosphanyl]methanamine?
The canonical SMILES for N,N-bis[bis(5-fluoro-2-methoxyphenyl)phosphanyl]methanamine is COc1ccc(F)cc1P(c1cc(F)ccc1OC)N(C)P(c1cc(F)ccc1OC)c1cc(F)ccc1OC.
What is the InChIKey of N,N-bis[bis(5-fluoro-2-methoxyphenyl)phosphanyl]methanamine?
The InChIKey is OUOSCXLPCDIINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F4NO4P2/c1-34(39(26-14-18(30)6-10-22(26)35-2)27-15-19(31)7-11-23(27)36-3)40(28-16-20(32)8-12-24(28)37-4)29-17-21(33)9-13-25(29)38-5/h6-17H,1-5H3.
What are the key properties of N,N-bis[bis(5-fluoro-2-methoxyphenyl)phosphanyl]methanamine?
N,N-bis[bis(5-fluoro-2-methoxyphenyl)phosphanyl]methanamine has a molecular weight of 591.48 g/mol, XLogP of 5.60, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[bis(5-fluoro-2-methoxyphenyl)phosphanyl]methanamine is sourced from PubChem (CID 101168361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).