N-[chloro(diethylamino)phosphoryl]-N-methyl-1-phenylethanamine

C13H22ClN2OP — CID 71348683

IUPACN-[chloro(diethylamino)phosphoryl]-N-methyl-1-phenylethanamine
SMILESCCN(CC)P(=O)(Cl)N(C)C(C)c1ccccc1
InChIInChI=1S/C13H22ClN2OP/c1-5-16(6-2)18(14,17)15(4)12(3)13-10-8-7-9-11-13/h7-12H,5-6H2,1-4H3
InChIKeyRCYJMIGMTHGNEZ-UHFFFAOYSA-N
MW288.76 g/mol
LogP4.37
Rot. Bonds6

About N-[chloro(diethylamino)phosphoryl]-N-methyl-1-phenylethanamine

N-[chloro(diethylamino)phosphoryl]-N-methyl-1-phenylethanamine (PubChem CID 71348683) has the molecular formula C13H22ClN2OP and a molecular weight of 288.76 g/mol. Its IUPAC name is N-[chloro(diethylamino)phosphoryl]-N-methyl-1-phenylethanamine.

Molecular Properties

Compound NameN-[chloro(diethylamino)phosphoryl]-N-methyl-1-phenylethanamine
PubChem CID71348683
Molecular FormulaC13H22ClN2OP
Molecular Weight288.76 g/mol
Exact Mass288.12
IUPAC NameN-[chloro(diethylamino)phosphoryl]-N-methyl-1-phenylethanamine
SMILESCCN(CC)P(=O)(Cl)N(C)C(C)c1ccccc1
InChIInChI=1S/C13H22ClN2OP/c1-5-16(6-2)18(14,17)15(4)12(3)13-10-8-7-9-11-13/h7-12H,5-6H2,1-4H3
InChIKeyRCYJMIGMTHGNEZ-UHFFFAOYSA-N
XLogP4.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-1-phenylethanamine;nitroxyl
CID 144554786
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
1-dichlorophosphorylpropan-2-ylbenzene
CID 139980768
N-ethyl-N-methylsulfanyl-1-phenylethanamine
CID 123514659
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide
CID 63665534
N-[anilino(diethylamino)phosphoryl]aniline
CID 17186015
(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
CID 139197887
(1R)-N-methanidyl-N-methyl-1-phenylethanamine
CID 59297896
methyl(1-phenylethyl)carbamic acid
CID 67062794
N-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide
CID 58403911
[(1S)-1-phenylethyl]phosphonic acid
CID 10511745

Frequently Asked Questions

What is the IUPAC name of N-[chloro(diethylamino)phosphoryl]-N-methyl-1-phenylethanamine?
The IUPAC name of N-[chloro(diethylamino)phosphoryl]-N-methyl-1-phenylethanamine (CID 71348683) is N-[chloro(diethylamino)phosphoryl]-N-methyl-1-phenylethanamine.
What is the SMILES notation for N-[chloro(diethylamino)phosphoryl]-N-methyl-1-phenylethanamine?
The canonical SMILES for N-[chloro(diethylamino)phosphoryl]-N-methyl-1-phenylethanamine is CCN(CC)P(=O)(Cl)N(C)C(C)c1ccccc1.
What is the InChIKey of N-[chloro(diethylamino)phosphoryl]-N-methyl-1-phenylethanamine?
The InChIKey is RCYJMIGMTHGNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN2OP/c1-5-16(6-2)18(14,17)15(4)12(3)13-10-8-7-9-11-13/h7-12H,5-6H2,1-4H3.
What are the key properties of N-[chloro(diethylamino)phosphoryl]-N-methyl-1-phenylethanamine?
N-[chloro(diethylamino)phosphoryl]-N-methyl-1-phenylethanamine has a molecular weight of 288.76 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(diethylamino)phosphoryl]-N-methyl-1-phenylethanamine is sourced from PubChem (CID 71348683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).