N-dimethoxyphosphoryl-2-phenylpropan-1-amine

C11H18NO3P — CID 118201062

IUPACN-dimethoxyphosphoryl-2-phenylpropan-1-amine
SMILESCOP(=O)(NCC(C)c1ccccc1)OC
InChIInChI=1S/C11H18NO3P/c1-10(11-7-5-4-6-8-11)9-12-16(13,14-2)15-3/h4-8,10H,9H2,1-3H3,(H,12,13)
InChIKeyBOUOXHSRCVFXRV-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.78
Rot. Bonds6

About N-dimethoxyphosphoryl-2-phenylpropan-1-amine

N-dimethoxyphosphoryl-2-phenylpropan-1-amine (PubChem CID 118201062) has the molecular formula C11H18NO3P and a molecular weight of 243.24 g/mol. Its IUPAC name is N-dimethoxyphosphoryl-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-dimethoxyphosphoryl-2-phenylpropan-1-amine
PubChem CID118201062
Molecular FormulaC11H18NO3P
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC NameN-dimethoxyphosphoryl-2-phenylpropan-1-amine
SMILESCOP(=O)(NCC(C)c1ccccc1)OC
InChIInChI=1S/C11H18NO3P/c1-10(11-7-5-4-6-8-11)9-12-16(13,14-2)15-3/h4-8,10H,9H2,1-3H3,(H,12,13)
InChIKeyBOUOXHSRCVFXRV-UHFFFAOYSA-N
XLogP2.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxypropan-2-ylbenzene;uranium
CID 145056385
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
N-dimethoxyphosphoryl-1-phenylmethanamine
CID 10954934
(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
CID 166722722
[(2S)-2-phenylpropyl]hydrazine
CID 76971638
methyl 2-methyl-3-(2-phenylpropylamino)propanoate
CID 104591422
N-(2-phenylpropyl)methanesulfonamide
CID 47121755
3,5-dimethoxy-N-(2-phenylpropyl)benzamide
CID 42890141
1-dichlorophosphorylpropan-2-ylbenzene
CID 139980768
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine
CID 107095421
4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine
CID 43147178

Frequently Asked Questions

What is the IUPAC name of N-dimethoxyphosphoryl-2-phenylpropan-1-amine?
The IUPAC name of N-dimethoxyphosphoryl-2-phenylpropan-1-amine (CID 118201062) is N-dimethoxyphosphoryl-2-phenylpropan-1-amine.
What is the SMILES notation for N-dimethoxyphosphoryl-2-phenylpropan-1-amine?
The canonical SMILES for N-dimethoxyphosphoryl-2-phenylpropan-1-amine is COP(=O)(NCC(C)c1ccccc1)OC.
What is the InChIKey of N-dimethoxyphosphoryl-2-phenylpropan-1-amine?
The InChIKey is BOUOXHSRCVFXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO3P/c1-10(11-7-5-4-6-8-11)9-12-16(13,14-2)15-3/h4-8,10H,9H2,1-3H3,(H,12,13).
What are the key properties of N-dimethoxyphosphoryl-2-phenylpropan-1-amine?
N-dimethoxyphosphoryl-2-phenylpropan-1-amine has a molecular weight of 243.24 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dimethoxyphosphoryl-2-phenylpropan-1-amine is sourced from PubChem (CID 118201062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).