[chloro(phenyl)phosphoryl]methanamine

C7H9ClNOP — CID 174662343

IUPAC[chloro(phenyl)phosphoryl]methanamine
SMILESNCP(=O)(Cl)c1ccccc1
InChIInChI=1S/C7H9ClNOP/c8-11(10,6-9)7-4-2-1-3-5-7/h1-5H,6,9H2
InChIKeyQFAGUPJCMGFIKC-UHFFFAOYSA-N
MW189.58 g/mol
LogP1.75
Rot. Bonds2

About [chloro(phenyl)phosphoryl]methanamine

[chloro(phenyl)phosphoryl]methanamine (PubChem CID 174662343) has the molecular formula C7H9ClNOP and a molecular weight of 189.58 g/mol. Its IUPAC name is [chloro(phenyl)phosphoryl]methanamine.

Molecular Properties

Compound Name[chloro(phenyl)phosphoryl]methanamine
PubChem CID174662343
Molecular FormulaC7H9ClNOP
Molecular Weight189.58 g/mol
Exact Mass189.01
IUPAC Name[chloro(phenyl)phosphoryl]methanamine
SMILESNCP(=O)(Cl)c1ccccc1
InChIInChI=1S/C7H9ClNOP/c8-11(10,6-9)7-4-2-1-3-5-7/h1-5H,6,9H2
InChIKeyQFAGUPJCMGFIKC-UHFFFAOYSA-N
XLogP1.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.58
LogP ≤ 51.75
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

[chloro(phenyl)phosphoryl]methanamine;phosphoryl trichloride
CID 174937204
[chloro(2-chloroethyl)phosphoryl]benzene
CID 12524522
[methyl(phenyl)phosphoryl]methanamine
CID 58489074
[chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride
CID 174876703
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
ethane;methane;[methyl(phenyl)phosphoryl]benzene
CID 162150444
diphenylphosphorylbenzene;terbium
CID 86595283
dichlorochromium;bis(diphenylphosphorylbenzene)
CID 23290734
phenylphosphonamidic acid
CID 18388605
methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
[chloro-[(Z)-2-chloroethenyl]phosphoryl]benzene
CID 23260967
1-[(1-amino-1-chloroethyl)-phenylphosphoryl]-1-chloroethanamine
CID 168876205

Frequently Asked Questions

What is the IUPAC name of [chloro(phenyl)phosphoryl]methanamine?
The IUPAC name of [chloro(phenyl)phosphoryl]methanamine (CID 174662343) is [chloro(phenyl)phosphoryl]methanamine.
What is the SMILES notation for [chloro(phenyl)phosphoryl]methanamine?
The canonical SMILES for [chloro(phenyl)phosphoryl]methanamine is NCP(=O)(Cl)c1ccccc1.
What is the InChIKey of [chloro(phenyl)phosphoryl]methanamine?
The InChIKey is QFAGUPJCMGFIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClNOP/c8-11(10,6-9)7-4-2-1-3-5-7/h1-5H,6,9H2.
What are the key properties of [chloro(phenyl)phosphoryl]methanamine?
[chloro(phenyl)phosphoryl]methanamine has a molecular weight of 189.58 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(phenyl)phosphoryl]methanamine is sourced from PubChem (CID 174662343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).