2-amino-2-methylidenephosphanyl-1-phenylethanol

C9H12NOP — CID 146341853

IUPAC2-amino-2-methylidenephosphanyl-1-phenylethanol
SMILESC=PC(N)C(O)c1ccccc1
InChIInChI=1S/C9H12NOP/c1-12-9(10)8(11)7-5-3-2-4-6-7/h2-6,8-9,11H,1,10H2
InChIKeyAXMALQHPNKXHTI-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.38
Rot. Bonds3

About 2-amino-2-methylidenephosphanyl-1-phenylethanol

2-amino-2-methylidenephosphanyl-1-phenylethanol (PubChem CID 146341853) has the molecular formula C9H12NOP and a molecular weight of 181.17 g/mol. Its IUPAC name is 2-amino-2-methylidenephosphanyl-1-phenylethanol.

Molecular Properties

Compound Name2-amino-2-methylidenephosphanyl-1-phenylethanol
PubChem CID146341853
Molecular FormulaC9H12NOP
Molecular Weight181.17 g/mol
Exact Mass181.07
IUPAC Name2-amino-2-methylidenephosphanyl-1-phenylethanol
SMILESC=PC(N)C(O)c1ccccc1
InChIInChI=1S/C9H12NOP/c1-12-9(10)8(11)7-5-3-2-4-6-7/h2-6,8-9,11H,1,10H2
InChIKeyAXMALQHPNKXHTI-UHFFFAOYSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-diphenylethane-1,2-diol
CID 159073808
(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(1R,2R)-2-amino-1,2-diphenylethanol;hydrochloride
CID 145453159
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
(1R,2S)-2-amino-1-phenylbut-3-en-1-ol
CID 10942782
benzene;2-phenylethane-1,1,2-triol
CID 174439943
2-amino-3-hydroxy-3-phenylpropanoic acid
CID 66621998
1,2,3-triphenylpropane-1,3-diol
CID 59738959
(1S)-1,2,2-triphenylethanol
CID 38988933
(1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol
CID 134931219

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylidenephosphanyl-1-phenylethanol?
The IUPAC name of 2-amino-2-methylidenephosphanyl-1-phenylethanol (CID 146341853) is 2-amino-2-methylidenephosphanyl-1-phenylethanol.
What is the SMILES notation for 2-amino-2-methylidenephosphanyl-1-phenylethanol?
The canonical SMILES for 2-amino-2-methylidenephosphanyl-1-phenylethanol is C=PC(N)C(O)c1ccccc1.
What is the InChIKey of 2-amino-2-methylidenephosphanyl-1-phenylethanol?
The InChIKey is AXMALQHPNKXHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NOP/c1-12-9(10)8(11)7-5-3-2-4-6-7/h2-6,8-9,11H,1,10H2.
What are the key properties of 2-amino-2-methylidenephosphanyl-1-phenylethanol?
2-amino-2-methylidenephosphanyl-1-phenylethanol has a molecular weight of 181.17 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylidenephosphanyl-1-phenylethanol is sourced from PubChem (CID 146341853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).