(2-aminophenyl)methylidene-hydroxy-propan-2-ylazanium

C10H15N2O+ — CID 54426508

IUPAC(2-aminophenyl)methylidene-hydroxy-propan-2-ylazanium
SMILESCC(C)[N+](O)=Cc1ccccc1N
InChIInChI=1S/C10H14N2O/c1-8(2)12(13)7-9-5-3-4-6-10(9)11/h3-8,11,13H,1-2H3/p+1
InChIKeyGKTXDIAXLLVOIX-UHFFFAOYSA-O
MW179.24 g/mol
LogP1.50
Rot. Bonds2

About (2-aminophenyl)methylidene-hydroxy-propan-2-ylazanium

(2-aminophenyl)methylidene-hydroxy-propan-2-ylazanium (PubChem CID 54426508) has the molecular formula C10H15N2O+ and a molecular weight of 179.24 g/mol. Its IUPAC name is (2-aminophenyl)methylidene-hydroxy-propan-2-ylazanium.

Molecular Properties

Compound Name(2-aminophenyl)methylidene-hydroxy-propan-2-ylazanium
PubChem CID54426508
Molecular FormulaC10H15N2O+
Molecular Weight179.24 g/mol
Exact Mass179.12
IUPAC Name(2-aminophenyl)methylidene-hydroxy-propan-2-ylazanium
SMILESCC(C)[N+](O)=Cc1ccccc1N
InChIInChI=1S/C10H14N2O/c1-8(2)12(13)7-9-5-3-4-6-10(9)11/h3-8,11,13H,1-2H3/p+1
InChIKeyGKTXDIAXLLVOIX-UHFFFAOYSA-O
XLogP1.50
TPSA49.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2-aminophenyl)methylideneamino]propanoic acid
CID 170755961
(2-aminophenyl)methylidenetungsten
CID 20722813
ethane;2-[(E)-prop-1-enyl]aniline
CID 90823299
2-[(Z)-1-amino-3-methylbut-1-en-2-yl]aniline
CID 130281292
2-[(E)-2,3,3-trifluoroprop-1-enyl]aniline
CID 171548656
2-(2,2-diphenylethenyl)aniline
CID 18963673
2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium)
CID 88516542
(1S)-1-(2-aminophenyl)ethanol
CID 12749796
2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
CID 11053766
2-[2-(2-nitrophenyl)ethenyl]aniline
CID 53440979
2-[(Z)-2-methoxy-2-phenylethenyl]aniline
CID 70402722
2-(ethyliminomethyl)aniline
CID 55289116

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)methylidene-hydroxy-propan-2-ylazanium?
The IUPAC name of (2-aminophenyl)methylidene-hydroxy-propan-2-ylazanium (CID 54426508) is (2-aminophenyl)methylidene-hydroxy-propan-2-ylazanium.
What is the SMILES notation for (2-aminophenyl)methylidene-hydroxy-propan-2-ylazanium?
The canonical SMILES for (2-aminophenyl)methylidene-hydroxy-propan-2-ylazanium is CC(C)[N+](O)=Cc1ccccc1N.
What is the InChIKey of (2-aminophenyl)methylidene-hydroxy-propan-2-ylazanium?
The InChIKey is GKTXDIAXLLVOIX-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14N2O/c1-8(2)12(13)7-9-5-3-4-6-10(9)11/h3-8,11,13H,1-2H3/p+1.
What are the key properties of (2-aminophenyl)methylidene-hydroxy-propan-2-ylazanium?
(2-aminophenyl)methylidene-hydroxy-propan-2-ylazanium has a molecular weight of 179.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)methylidene-hydroxy-propan-2-ylazanium is sourced from PubChem (CID 54426508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).