(2-aminophenyl)methyloxidanium

C7H10NO+ — CID 164683115

IUPAC(2-aminophenyl)methyloxidanium
SMILESNc1ccccc1C[OH2+]
InChIInChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2/p+1
InChIKeyVYFOAVADNIHPTR-UHFFFAOYSA-O
MW124.16 g/mol
LogP0.49
Rot. Bonds1

About (2-aminophenyl)methyloxidanium

(2-aminophenyl)methyloxidanium (PubChem CID 164683115) has the molecular formula C7H10NO+ and a molecular weight of 124.16 g/mol. Its IUPAC name is (2-aminophenyl)methyloxidanium.

Molecular Properties

Compound Name(2-aminophenyl)methyloxidanium
PubChem CID164683115
Molecular FormulaC7H10NO+
Molecular Weight124.16 g/mol
Exact Mass124.08
IUPAC Name(2-aminophenyl)methyloxidanium
SMILESNc1ccccc1C[OH2+]
InChIInChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2/p+1
InChIKeyVYFOAVADNIHPTR-UHFFFAOYSA-O
XLogP0.49
TPSA48.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-ethylaniline
CID 90841248
2-(aminomethyl)aniline;hydrochloride
CID 69170371
2-ethylaniline;propane
CID 143529464
2-(cyclopropylmethyl)aniline
CID 55285261
2-(aminomethyl)aniline;ethane
CID 90697767
2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline
CID 142730612
sodium (2-aminophenyl)methanethiolate
CID 177134355
(2-aminophenyl)methyl-phenylsulfanium
CID 145451025
2-(cyclopentylmethyl)aniline
CID 15634615
2-(hydrazinylmethyl)aniline
CID 126609519
2-[(2-aminophenyl)methyl]aniline;aniline
CID 158811697
2-[(2-methylcycloprop-2-en-1-yl)methyl]aniline
CID 163753278

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)methyloxidanium?
The IUPAC name of (2-aminophenyl)methyloxidanium (CID 164683115) is (2-aminophenyl)methyloxidanium.
What is the SMILES notation for (2-aminophenyl)methyloxidanium?
The canonical SMILES for (2-aminophenyl)methyloxidanium is Nc1ccccc1C[OH2+].
What is the InChIKey of (2-aminophenyl)methyloxidanium?
The InChIKey is VYFOAVADNIHPTR-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2/p+1.
What are the key properties of (2-aminophenyl)methyloxidanium?
(2-aminophenyl)methyloxidanium has a molecular weight of 124.16 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)methyloxidanium is sourced from PubChem (CID 164683115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).