N-bis(phenylmethoxy)phosphoryl-N-ethylcyclohexanamine

C22H30NO3P — CID 134907504

IUPACN-bis(phenylmethoxy)phosphoryl-N-ethylcyclohexanamine
SMILESCCN(C1CCCCC1)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H30NO3P/c1-2-23(22-16-10-5-11-17-22)27(24,25-18-20-12-6-3-7-13-20)26-19-21-14-8-4-9-15-21/h3-4,6-9,12-15,22H,2,5,10-11,16-19H2,1H3
InChIKeyIMJLQUILCBAKHW-UHFFFAOYSA-N
MW387.46 g/mol
LogP6.18
Rot. Bonds9

About N-bis(phenylmethoxy)phosphoryl-N-ethylcyclohexanamine

N-bis(phenylmethoxy)phosphoryl-N-ethylcyclohexanamine (PubChem CID 134907504) has the molecular formula C22H30NO3P and a molecular weight of 387.46 g/mol. Its IUPAC name is N-bis(phenylmethoxy)phosphoryl-N-ethylcyclohexanamine.

Molecular Properties

Compound NameN-bis(phenylmethoxy)phosphoryl-N-ethylcyclohexanamine
PubChem CID134907504
Molecular FormulaC22H30NO3P
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC NameN-bis(phenylmethoxy)phosphoryl-N-ethylcyclohexanamine
SMILESCCN(C1CCCCC1)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H30NO3P/c1-2-23(22-16-10-5-11-17-22)27(24,25-18-20-12-6-3-7-13-20)26-19-21-14-8-4-9-15-21/h3-4,6-9,12-15,22H,2,5,10-11,16-19H2,1H3
InChIKeyIMJLQUILCBAKHW-UHFFFAOYSA-N
XLogP6.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
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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Related Compounds

Bis(benzyloxy)(diisopropylamino)phosphine
CID 196621
Dibenzyl diethylphosphoramidite
CID 5066231
Dibenzyl benzylphosphoramidate
CID 275759
N-bis(phenylmethoxy)phosphorylcyclohexanamine
CID 345019
((Benzyloxy)(bis(propan-2-yl)amino)phosphanyl)bis(propan-2-yl)amine
CID 4590859
Phosphoramidic acid, N-methyl-N-(alpha-methylphenethyl)-, diphenyl ester
CID 202205
Dibenzyl N,N-dimethylphosphoramidite
CID 736298
(2R,4S,5R)-2-[(R)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2lambda5-oxazaphospholidine 2-oxide
CID 10639319
(2R,4S,5R)-2-[(S)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2lambda5-oxazaphospholidine 2-oxide
CID 10829422
N,N-diethylamidofluorophosphate benzyl ester
CID 129787253
3,4-Dimethyl-2-(3-methyl-1-phenylbuta-1,2-dienyl)-5-phenyl-1,3,2lambda5-oxazaphospholane 2-oxide
CID 15031760
N-[methyl(phenylmethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 4191457

Frequently Asked Questions

What is the IUPAC name of N-bis(phenylmethoxy)phosphoryl-N-ethylcyclohexanamine?
The IUPAC name of N-bis(phenylmethoxy)phosphoryl-N-ethylcyclohexanamine (CID 134907504) is N-bis(phenylmethoxy)phosphoryl-N-ethylcyclohexanamine.
What is the SMILES notation for N-bis(phenylmethoxy)phosphoryl-N-ethylcyclohexanamine?
The canonical SMILES for N-bis(phenylmethoxy)phosphoryl-N-ethylcyclohexanamine is CCN(C1CCCCC1)P(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of N-bis(phenylmethoxy)phosphoryl-N-ethylcyclohexanamine?
The InChIKey is IMJLQUILCBAKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30NO3P/c1-2-23(22-16-10-5-11-17-22)27(24,25-18-20-12-6-3-7-13-20)26-19-21-14-8-4-9-15-21/h3-4,6-9,12-15,22H,2,5,10-11,16-19H2,1H3.
What are the key properties of N-bis(phenylmethoxy)phosphoryl-N-ethylcyclohexanamine?
N-bis(phenylmethoxy)phosphoryl-N-ethylcyclohexanamine has a molecular weight of 387.46 g/mol, XLogP of 6.18, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(phenylmethoxy)phosphoryl-N-ethylcyclohexanamine is sourced from PubChem (CID 134907504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).