N-[(4-chlorophenoxy)-[methyl(2-methylpropyl)amino]phosphoryl]-N,3-dimethylbutan-1-amine

C17H30ClN2O2P — CID 19733994

IUPACN-[(4-chlorophenoxy)-[methyl(2-methylpropyl)amino]phosphoryl]-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)P(=O)(Oc1ccc(Cl)cc1)N(C)CC(C)C
InChIInChI=1S/C17H30ClN2O2P/c1-14(2)11-12-19(5)23(21,20(6)13-15(3)4)22-17-9-7-16(18)8-10-17/h7-10,14-15H,11-13H2,1-6H3
InChIKeyXYXWCHQHFLNDBV-UHFFFAOYSA-N
MW360.87 g/mol
LogP5.39
Rot. Bonds9

About N-[(4-chlorophenoxy)-[methyl(2-methylpropyl)amino]phosphoryl]-N,3-dimethylbutan-1-amine

N-[(4-chlorophenoxy)-[methyl(2-methylpropyl)amino]phosphoryl]-N,3-dimethylbutan-1-amine (PubChem CID 19733994) has the molecular formula C17H30ClN2O2P and a molecular weight of 360.87 g/mol. Its IUPAC name is N-[(4-chlorophenoxy)-[methyl(2-methylpropyl)amino]phosphoryl]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenoxy)-[methyl(2-methylpropyl)amino]phosphoryl]-N,3-dimethylbutan-1-amine
PubChem CID19733994
Molecular FormulaC17H30ClN2O2P
Molecular Weight360.87 g/mol
Exact Mass360.17
IUPAC NameN-[(4-chlorophenoxy)-[methyl(2-methylpropyl)amino]phosphoryl]-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)P(=O)(Oc1ccc(Cl)cc1)N(C)CC(C)C
InChIInChI=1S/C17H30ClN2O2P/c1-14(2)11-12-19(5)23(21,20(6)13-15(3)4)22-17-9-7-16(18)8-10-17/h7-10,14-15H,11-13H2,1-6H3
InChIKeyXYXWCHQHFLNDBV-UHFFFAOYSA-N
XLogP5.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.87
LogP ≤ 55.39
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

CID 238909
CID 238909
CID 242050
CID 242050
CID 345885
CID 345885
CID 85513
CID 85513
CID 12748528
CID 12748528
CID 238907
CID 238907
CID 19734019
CID 19734019
CID 24808838
CID 24808838
CID 59360787
CID 59360787
CID 139330698
CID 139330698
CID 170237321
CID 170237321
CID 41777
CID 41777

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenoxy)-[methyl(2-methylpropyl)amino]phosphoryl]-N,3-dimethylbutan-1-amine?
The IUPAC name of N-[(4-chlorophenoxy)-[methyl(2-methylpropyl)amino]phosphoryl]-N,3-dimethylbutan-1-amine (CID 19733994) is N-[(4-chlorophenoxy)-[methyl(2-methylpropyl)amino]phosphoryl]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(4-chlorophenoxy)-[methyl(2-methylpropyl)amino]phosphoryl]-N,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(4-chlorophenoxy)-[methyl(2-methylpropyl)amino]phosphoryl]-N,3-dimethylbutan-1-amine is CC(C)CCN(C)P(=O)(Oc1ccc(Cl)cc1)N(C)CC(C)C.
What is the InChIKey of N-[(4-chlorophenoxy)-[methyl(2-methylpropyl)amino]phosphoryl]-N,3-dimethylbutan-1-amine?
The InChIKey is XYXWCHQHFLNDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClN2O2P/c1-14(2)11-12-19(5)23(21,20(6)13-15(3)4)22-17-9-7-16(18)8-10-17/h7-10,14-15H,11-13H2,1-6H3.
What are the key properties of N-[(4-chlorophenoxy)-[methyl(2-methylpropyl)amino]phosphoryl]-N,3-dimethylbutan-1-amine?
N-[(4-chlorophenoxy)-[methyl(2-methylpropyl)amino]phosphoryl]-N,3-dimethylbutan-1-amine has a molecular weight of 360.87 g/mol, XLogP of 5.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenoxy)-[methyl(2-methylpropyl)amino]phosphoryl]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 19733994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).