dimethylphosphoryl(phenyl)methanamine;hydrochloride

C9H15ClNOP — CID 155819704

IUPACdimethylphosphoryl(phenyl)methanamine;hydrochloride
SMILESCP(C)(=O)C(N)c1ccccc1.Cl
InChIInChI=1S/C9H14NOP.ClH/c1-12(2,11)9(10)8-6-4-3-5-7-8;/h3-7,9H,10H2,1-2H3;1H
InChIKeyBZERBNQSNMYVFB-UHFFFAOYSA-N
MW219.65 g/mol
LogP2.69
Rot. Bonds2

About dimethylphosphoryl(phenyl)methanamine;hydrochloride

dimethylphosphoryl(phenyl)methanamine;hydrochloride (PubChem CID 155819704) has the molecular formula C9H15ClNOP and a molecular weight of 219.65 g/mol. Its IUPAC name is dimethylphosphoryl(phenyl)methanamine;hydrochloride.

Molecular Properties

Compound Namedimethylphosphoryl(phenyl)methanamine;hydrochloride
PubChem CID155819704
Molecular FormulaC9H15ClNOP
Molecular Weight219.65 g/mol
Exact Mass219.06
IUPAC Namedimethylphosphoryl(phenyl)methanamine;hydrochloride
SMILESCP(C)(=O)C(N)c1ccccc1.Cl
InChIInChI=1S/C9H14NOP.ClH/c1-12(2,11)9(10)8-6-4-3-5-7-8;/h3-7,9H,10H2,1-2H3;1H
InChIKeyBZERBNQSNMYVFB-UHFFFAOYSA-N
XLogP2.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride
CID 138987682
diphenylmethanamine;phosphoric acid
CID 67153031
dimethylphosphoryl(phenyl)methanol
CID 58658737
[amino(phenyl)methyl]-butan-2-yloxyphosphinic acid
CID 87221118
[amino-(4-phenylphenyl)methyl]phosphonic acid
CID 4568933
diphenoxyphosphoryl-(4-methylphenyl)methanamine
CID 3772373
[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
methyl(1-phenylethoxy)phosphinic acid
CID 154330211
[amino-[3-[amino(phosphono)methyl]phenyl]methyl]phosphonic acid
CID 15183155
(3-amino-3-phenyl-1-phosphonopropyl)phosphonic acid
CID 18757018
diphenoxyphosphoryl-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
CID 59081184
diphenylmethanamine;methanethiol
CID 143873840

Frequently Asked Questions

What is the IUPAC name of dimethylphosphoryl(phenyl)methanamine;hydrochloride?
The IUPAC name of dimethylphosphoryl(phenyl)methanamine;hydrochloride (CID 155819704) is dimethylphosphoryl(phenyl)methanamine;hydrochloride.
What is the SMILES notation for dimethylphosphoryl(phenyl)methanamine;hydrochloride?
The canonical SMILES for dimethylphosphoryl(phenyl)methanamine;hydrochloride is CP(C)(=O)C(N)c1ccccc1.Cl.
What is the InChIKey of dimethylphosphoryl(phenyl)methanamine;hydrochloride?
The InChIKey is BZERBNQSNMYVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NOP.ClH/c1-12(2,11)9(10)8-6-4-3-5-7-8;/h3-7,9H,10H2,1-2H3;1H.
What are the key properties of dimethylphosphoryl(phenyl)methanamine;hydrochloride?
dimethylphosphoryl(phenyl)methanamine;hydrochloride has a molecular weight of 219.65 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylphosphoryl(phenyl)methanamine;hydrochloride is sourced from PubChem (CID 155819704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).