N-butyl-N-[phenylmethoxy(propyl)phosphoryl]butan-1-amine

C18H32NO2P — CID 15857366

IUPACN-butyl-N-[phenylmethoxy(propyl)phosphoryl]butan-1-amine
SMILESCCCCN(CCCC)P(=O)(CCC)OCc1ccccc1
InChIInChI=1S/C18H32NO2P/c1-4-7-14-19(15-8-5-2)22(20,16-6-3)21-17-18-12-10-9-11-13-18/h9-13H,4-8,14-17H2,1-3H3
InChIKeyOYVDZNPGKZSWAC-UHFFFAOYSA-N
MW325.43 g/mol
LogP5.71
Rot. Bonds12

About N-butyl-N-[phenylmethoxy(propyl)phosphoryl]butan-1-amine

N-butyl-N-[phenylmethoxy(propyl)phosphoryl]butan-1-amine (PubChem CID 15857366) has the molecular formula C18H32NO2P and a molecular weight of 325.43 g/mol. Its IUPAC name is N-butyl-N-[phenylmethoxy(propyl)phosphoryl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[phenylmethoxy(propyl)phosphoryl]butan-1-amine
PubChem CID15857366
Molecular FormulaC18H32NO2P
Molecular Weight325.43 g/mol
Exact Mass325.22
IUPAC NameN-butyl-N-[phenylmethoxy(propyl)phosphoryl]butan-1-amine
SMILESCCCCN(CCCC)P(=O)(CCC)OCc1ccccc1
InChIInChI=1S/C18H32NO2P/c1-4-7-14-19(15-8-5-2)22(20,16-6-3)21-17-18-12-10-9-11-13-18/h9-13H,4-8,14-17H2,1-3H3
InChIKeyOYVDZNPGKZSWAC-UHFFFAOYSA-N
XLogP5.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.43
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
((Benzyloxy)(bis(propan-2-yl)amino)phosphanyl)bis(propan-2-yl)amine
CID 4590859
[6-Isothiocyanatohexyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 137633437
[4-Isothiocyanatobutyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 137635584
[5-Isothiocyanatopentyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 137641882
Octadecyl-phosphonic acid monobenzyl ester
CID 9823684
1-Propanaminium, 3-((hydroxy(1-phenylpropoxy)phosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt
CID 3040939
Dibenzyl N,N-dimethylphosphoramidite
CID 736298
(2S,4S,5R)-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide
CID 11969812
2-Allyl-3-isopropyl-4-methyl-5-phenyl-1,3,2-oxazaphospholidine 2-oxide
CID 500039
Pentadecyl-phosphonic acid monobenzyl ester
CID 9977209

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[phenylmethoxy(propyl)phosphoryl]butan-1-amine?
The IUPAC name of N-butyl-N-[phenylmethoxy(propyl)phosphoryl]butan-1-amine (CID 15857366) is N-butyl-N-[phenylmethoxy(propyl)phosphoryl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[phenylmethoxy(propyl)phosphoryl]butan-1-amine?
The canonical SMILES for N-butyl-N-[phenylmethoxy(propyl)phosphoryl]butan-1-amine is CCCCN(CCCC)P(=O)(CCC)OCc1ccccc1.
What is the InChIKey of N-butyl-N-[phenylmethoxy(propyl)phosphoryl]butan-1-amine?
The InChIKey is OYVDZNPGKZSWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32NO2P/c1-4-7-14-19(15-8-5-2)22(20,16-6-3)21-17-18-12-10-9-11-13-18/h9-13H,4-8,14-17H2,1-3H3.
What are the key properties of N-butyl-N-[phenylmethoxy(propyl)phosphoryl]butan-1-amine?
N-butyl-N-[phenylmethoxy(propyl)phosphoryl]butan-1-amine has a molecular weight of 325.43 g/mol, XLogP of 5.71, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[phenylmethoxy(propyl)phosphoryl]butan-1-amine is sourced from PubChem (CID 15857366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).