N-[methyl(phenyl)phosphoryl]butan-2-amine

C11H18NOP — CID 15424710

IUPACN-[methyl(phenyl)phosphoryl]butan-2-amine
SMILESCCC(C)NP(C)(=O)c1ccccc1
InChIInChI=1S/C11H18NOP/c1-4-10(2)12-14(3,13)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H,12,13)
InChIKeyMXNLBIXXIWBIHX-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.61
Rot. Bonds4

About N-[methyl(phenyl)phosphoryl]butan-2-amine

N-[methyl(phenyl)phosphoryl]butan-2-amine (PubChem CID 15424710) has the molecular formula C11H18NOP and a molecular weight of 211.25 g/mol. Its IUPAC name is N-[methyl(phenyl)phosphoryl]butan-2-amine.

Molecular Properties

Compound NameN-[methyl(phenyl)phosphoryl]butan-2-amine
PubChem CID15424710
Molecular FormulaC11H18NOP
Molecular Weight211.25 g/mol
Exact Mass211.11
IUPAC NameN-[methyl(phenyl)phosphoryl]butan-2-amine
SMILESCCC(C)NP(C)(=O)c1ccccc1
InChIInChI=1S/C11H18NOP/c1-4-10(2)12-14(3,13)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H,12,13)
InChIKeyMXNLBIXXIWBIHX-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[methyl(phenyl)phosphoryl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide
CID 129387880
4-diphenylphosphorylpentan-2-one
CID 13202508
(2S)-2-[[ethoxy(phenyl)phosphoryl]amino]-3-methylbutanoic acid
CID 71426419
4-methyl-N'-[methyl(phenyl)phosphoryl]pentanehydrazide
CID 67675456
1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine
CID 177454957
4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine
CID 71676353
(3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol
CID 10336740
[butan-2-yl(butan-2-yloxy)phosphoryl]benzene
CID 141334363
1-diphenylphosphorylpropoxy(trimethyl)silane
CID 12930453
ethane;methane;[methyl(phenyl)phosphoryl]benzene
CID 162150444
ethyl 2-diphenylphosphorylbutanoate
CID 3289808
1-[4-(butan-2-ylamino)phenyl]-3-phenylurea
CID 112980502

Frequently Asked Questions

What is the IUPAC name of N-[methyl(phenyl)phosphoryl]butan-2-amine?
The IUPAC name of N-[methyl(phenyl)phosphoryl]butan-2-amine (CID 15424710) is N-[methyl(phenyl)phosphoryl]butan-2-amine.
What is the SMILES notation for N-[methyl(phenyl)phosphoryl]butan-2-amine?
The canonical SMILES for N-[methyl(phenyl)phosphoryl]butan-2-amine is CCC(C)NP(C)(=O)c1ccccc1.
What is the InChIKey of N-[methyl(phenyl)phosphoryl]butan-2-amine?
The InChIKey is MXNLBIXXIWBIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NOP/c1-4-10(2)12-14(3,13)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H,12,13).
What are the key properties of N-[methyl(phenyl)phosphoryl]butan-2-amine?
N-[methyl(phenyl)phosphoryl]butan-2-amine has a molecular weight of 211.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl(phenyl)phosphoryl]butan-2-amine is sourced from PubChem (CID 15424710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).