N-[(2,4-dimethoxyphenyl)methoxy-(dipropylamino)phosphanyl]-N-propylpropan-1-amine

C21H39N2O3P — CID 167225872

IUPACN-[(2,4-dimethoxyphenyl)methoxy-(dipropylamino)phosphanyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)P(OCc1ccc(OC)cc1OC)N(CCC)CCC
InChIInChI=1S/C21H39N2O3P/c1-7-13-22(14-8-2)27(23(15-9-3)16-10-4)26-18-19-11-12-20(24-5)17-21(19)25-6/h11-12,17H,7-10,13-16,18H2,1-6H3
InChIKeyPAXIJVNJQTZCFT-UHFFFAOYSA-N
MW398.53 g/mol
LogP5.69
Rot. Bonds15

About N-[(2,4-dimethoxyphenyl)methoxy-(dipropylamino)phosphanyl]-N-propylpropan-1-amine

N-[(2,4-dimethoxyphenyl)methoxy-(dipropylamino)phosphanyl]-N-propylpropan-1-amine (PubChem CID 167225872) has the molecular formula C21H39N2O3P and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methoxy-(dipropylamino)phosphanyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methoxy-(dipropylamino)phosphanyl]-N-propylpropan-1-amine
PubChem CID167225872
Molecular FormulaC21H39N2O3P
Molecular Weight398.53 g/mol
Exact Mass398.27
IUPAC NameN-[(2,4-dimethoxyphenyl)methoxy-(dipropylamino)phosphanyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)P(OCc1ccc(OC)cc1OC)N(CCC)CCC
InChIInChI=1S/C21H39N2O3P/c1-7-13-22(14-8-2)27(23(15-9-3)16-10-4)26-18-19-11-12-20(24-5)17-21(19)25-6/h11-12,17H,7-10,13-16,18H2,1-6H3
InChIKeyPAXIJVNJQTZCFT-UHFFFAOYSA-N
XLogP5.69
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.53
LogP ≤ 55.69
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

bis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite
CID 69443369
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080
N-[(2,4-dimethoxyphenyl)methyl]-2-propylsulfonylethanamine
CID 106723733
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine
CID 117044148
2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
CID 82255129
N-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide
CID 165347304
2,4-dimethoxy-N,N-dipropylbenzenesulfonamide
CID 19682152
N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methoxy-(dipropylamino)phosphanyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methoxy-(dipropylamino)phosphanyl]-N-propylpropan-1-amine (CID 167225872) is N-[(2,4-dimethoxyphenyl)methoxy-(dipropylamino)phosphanyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methoxy-(dipropylamino)phosphanyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methoxy-(dipropylamino)phosphanyl]-N-propylpropan-1-amine is CCCN(CCC)P(OCc1ccc(OC)cc1OC)N(CCC)CCC.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methoxy-(dipropylamino)phosphanyl]-N-propylpropan-1-amine?
The InChIKey is PAXIJVNJQTZCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N2O3P/c1-7-13-22(14-8-2)27(23(15-9-3)16-10-4)26-18-19-11-12-20(24-5)17-21(19)25-6/h11-12,17H,7-10,13-16,18H2,1-6H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methoxy-(dipropylamino)phosphanyl]-N-propylpropan-1-amine?
N-[(2,4-dimethoxyphenyl)methoxy-(dipropylamino)phosphanyl]-N-propylpropan-1-amine has a molecular weight of 398.53 g/mol, XLogP of 5.69, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methoxy-(dipropylamino)phosphanyl]-N-propylpropan-1-amine is sourced from PubChem (CID 167225872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).