(2R,5R)-N-bis(2-methoxyphenyl)phosphanyl-N-butyl-2,5-diethylphospholan-1-amine

C26H39NO2P2 — CID 139305496

IUPAC(2R,5R)-N-bis(2-methoxyphenyl)phosphanyl-N-butyl-2,5-diethylphospholan-1-amine
SMILESCCCCN(P(c1ccccc1OC)c1ccccc1OC)P1[C@H](CC)CC[C@H]1CC
InChIInChI=1S/C26H39NO2P2/c1-6-9-20-27(30-21(7-2)18-19-22(30)8-3)31(25-16-12-10-14-23(25)28-4)26-17-13-11-15-24(26)29-5/h10-17,21-22H,6-9,18-20H2,1-5H3/t21-,22-/m1/s1
InChIKeySLTUKBZTQVYAMH-FGZHOGPDSA-N
MW459.55 g/mol
LogP6.90
Rot. Bonds11

About (2R,5R)-N-bis(2-methoxyphenyl)phosphanyl-N-butyl-2,5-diethylphospholan-1-amine

(2R,5R)-N-bis(2-methoxyphenyl)phosphanyl-N-butyl-2,5-diethylphospholan-1-amine (PubChem CID 139305496) has the molecular formula C26H39NO2P2 and a molecular weight of 459.55 g/mol. Its IUPAC name is (2R,5R)-N-bis(2-methoxyphenyl)phosphanyl-N-butyl-2,5-diethylphospholan-1-amine.

Molecular Properties

Compound Name(2R,5R)-N-bis(2-methoxyphenyl)phosphanyl-N-butyl-2,5-diethylphospholan-1-amine
PubChem CID139305496
Molecular FormulaC26H39NO2P2
Molecular Weight459.55 g/mol
Exact Mass459.25
IUPAC Name(2R,5R)-N-bis(2-methoxyphenyl)phosphanyl-N-butyl-2,5-diethylphospholan-1-amine
SMILESCCCCN(P(c1ccccc1OC)c1ccccc1OC)P1[C@H](CC)CC[C@H]1CC
InChIInChI=1S/C26H39NO2P2/c1-6-9-20-27(30-21(7-2)18-19-22(30)8-3)31(25-16-12-10-14-23(25)28-4)26-17-13-11-15-24(26)29-5/h10-17,21-22H,6-9,18-20H2,1-5H3/t21-,22-/m1/s1
InChIKeySLTUKBZTQVYAMH-FGZHOGPDSA-N
XLogP6.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,3R)-N-butyl-N-diphenylphosphanyl-1,3-diethyl-1,3-dihydroisophosphindol-2-amine
CID 134344233
(2S,5S)-N-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine
CID 138466205
(2R,5R)-N-butyl-N-[(3-tert-butyl-4-methoxyphenyl)-(3,5-ditert-butyl-4-methoxyphenyl)phosphanyl]-2,5-diphenylphospholan-1-amine
CID 162243387
(2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 134344248
cyclohexyl-bis(2-methoxyphenyl)phosphane
CID 101492497
(2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine
CID 138466209
N-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine
CID 5262106
(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine
CID 161127303
(2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 134344325
N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 140850127
(2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine
CID 139332412
N-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine
CID 140850176

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-N-bis(2-methoxyphenyl)phosphanyl-N-butyl-2,5-diethylphospholan-1-amine?
The IUPAC name of (2R,5R)-N-bis(2-methoxyphenyl)phosphanyl-N-butyl-2,5-diethylphospholan-1-amine (CID 139305496) is (2R,5R)-N-bis(2-methoxyphenyl)phosphanyl-N-butyl-2,5-diethylphospholan-1-amine.
What is the SMILES notation for (2R,5R)-N-bis(2-methoxyphenyl)phosphanyl-N-butyl-2,5-diethylphospholan-1-amine?
The canonical SMILES for (2R,5R)-N-bis(2-methoxyphenyl)phosphanyl-N-butyl-2,5-diethylphospholan-1-amine is CCCCN(P(c1ccccc1OC)c1ccccc1OC)P1[C@H](CC)CC[C@H]1CC.
What is the InChIKey of (2R,5R)-N-bis(2-methoxyphenyl)phosphanyl-N-butyl-2,5-diethylphospholan-1-amine?
The InChIKey is SLTUKBZTQVYAMH-FGZHOGPDSA-N. The full InChI is InChI=1S/C26H39NO2P2/c1-6-9-20-27(30-21(7-2)18-19-22(30)8-3)31(25-16-12-10-14-23(25)28-4)26-17-13-11-15-24(26)29-5/h10-17,21-22H,6-9,18-20H2,1-5H3/t21-,22-/m1/s1.
What are the key properties of (2R,5R)-N-bis(2-methoxyphenyl)phosphanyl-N-butyl-2,5-diethylphospholan-1-amine?
(2R,5R)-N-bis(2-methoxyphenyl)phosphanyl-N-butyl-2,5-diethylphospholan-1-amine has a molecular weight of 459.55 g/mol, XLogP of 6.90, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-N-bis(2-methoxyphenyl)phosphanyl-N-butyl-2,5-diethylphospholan-1-amine is sourced from PubChem (CID 139305496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).