N-[benzyl(chloro)phosphoryl]-N-propan-2-ylpropan-2-amine

C13H21ClNOP — CID 14930238

IUPACN-[benzyl(chloro)phosphoryl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(=O)(Cl)Cc1ccccc1
InChIInChI=1S/C13H21ClNOP/c1-11(2)15(12(3)4)17(14,16)10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeyVSHXGXNRBRCPQR-UHFFFAOYSA-N
MW273.74 g/mol
LogP4.74
Rot. Bonds5

About N-[benzyl(chloro)phosphoryl]-N-propan-2-ylpropan-2-amine

N-[benzyl(chloro)phosphoryl]-N-propan-2-ylpropan-2-amine (PubChem CID 14930238) has the molecular formula C13H21ClNOP and a molecular weight of 273.74 g/mol. Its IUPAC name is N-[benzyl(chloro)phosphoryl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[benzyl(chloro)phosphoryl]-N-propan-2-ylpropan-2-amine
PubChem CID14930238
Molecular FormulaC13H21ClNOP
Molecular Weight273.74 g/mol
Exact Mass273.10
IUPAC NameN-[benzyl(chloro)phosphoryl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(=O)(Cl)Cc1ccccc1
InChIInChI=1S/C13H21ClNOP/c1-11(2)15(12(3)4)17(14,16)10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeyVSHXGXNRBRCPQR-UHFFFAOYSA-N
XLogP4.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 54.74
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-[benzyl(chloro)phosphoryl]-N-prop-2-enylprop-2-en-1-amine
CID 87635437
[methyl(propan-2-yloxy)phosphoryl]methylbenzene
CID 11769791
[chloro(ethoxy)phosphoryl]methylbenzene
CID 12634157
(2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide
CID 15533413
CID 23340127
CID 23340127
2-[benzyl(carboxymethyl)phosphoryl]acetic acid
CID 67745759
2-[benzyl-[4-[benzyl-[2,4,6-tri(propan-2-yl)phenyl]phosphoryl]butyl]phosphoryl]-1,3,5-tri(propan-2-yl)benzene
CID 102041247
propan-2-yl 2-[[chloro(phenylmethoxy)phosphoryl]amino]acetate
CID 145372538
1-phenylmethoxyethylphosphonic acid
CID 174787824
N,N'-bis(diphenylphosphoryl)-N,N'-di(propan-2-yl)ethane-1,2-diamine
CID 24891588
N-benzyl-N-dimethylalumanylpropan-2-amine
CID 16696202
1-dichlorophosphorylpropan-2-ylbenzene
CID 139980768

Frequently Asked Questions

What is the IUPAC name of N-[benzyl(chloro)phosphoryl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[benzyl(chloro)phosphoryl]-N-propan-2-ylpropan-2-amine (CID 14930238) is N-[benzyl(chloro)phosphoryl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[benzyl(chloro)phosphoryl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[benzyl(chloro)phosphoryl]-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)P(=O)(Cl)Cc1ccccc1.
What is the InChIKey of N-[benzyl(chloro)phosphoryl]-N-propan-2-ylpropan-2-amine?
The InChIKey is VSHXGXNRBRCPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClNOP/c1-11(2)15(12(3)4)17(14,16)10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3.
What are the key properties of N-[benzyl(chloro)phosphoryl]-N-propan-2-ylpropan-2-amine?
N-[benzyl(chloro)phosphoryl]-N-propan-2-ylpropan-2-amine has a molecular weight of 273.74 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(chloro)phosphoryl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 14930238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).