(2-fluoro-4-methoxyphenyl)methyl-methanidyl-methylazanium

C10H14FNO — CID 59280650

IUPAC(2-fluoro-4-methoxyphenyl)methyl-methanidyl-methylazanium
SMILES[CH2-][NH+](C)Cc1ccc(OC)cc1F
InChIInChI=1S/C10H14FNO/c1-12(2)7-8-4-5-9(13-3)6-10(8)11/h4-6,12H,1,7H2,2-3H3
InChIKeyGRTSZSABCJRDTP-UHFFFAOYSA-N
MW183.23 g/mol
LogP0.64
Rot. Bonds3

About (2-fluoro-4-methoxyphenyl)methyl-methanidyl-methylazanium

(2-fluoro-4-methoxyphenyl)methyl-methanidyl-methylazanium (PubChem CID 59280650) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)methyl-methanidyl-methylazanium.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)methyl-methanidyl-methylazanium
PubChem CID59280650
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name(2-fluoro-4-methoxyphenyl)methyl-methanidyl-methylazanium
SMILES[CH2-][NH+](C)Cc1ccc(OC)cc1F
InChIInChI=1S/C10H14FNO/c1-12(2)7-8-4-5-9(13-3)6-10(8)11/h4-6,12H,1,7H2,2-3H3
InChIKeyGRTSZSABCJRDTP-UHFFFAOYSA-N
XLogP0.64
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 59418410
CID 59418410
(2-fluoro-4-methoxyphenyl)methyl-methylazanide
CID 89077895
5-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 65305702
chloromethyl-[(2-fluoro-4-methoxyphenyl)methyl]-dimethylsilane
CID 19007208
2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene
CID 102876837
2-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 102878757
1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102876842
1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol
CID 102878488
1,2-difluoro-4-methoxybenzene;ethane;pentane
CID 144721710
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol
CID 102876481
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 102877748

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)methyl-methanidyl-methylazanium?
The IUPAC name of (2-fluoro-4-methoxyphenyl)methyl-methanidyl-methylazanium (CID 59280650) is (2-fluoro-4-methoxyphenyl)methyl-methanidyl-methylazanium.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)methyl-methanidyl-methylazanium?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)methyl-methanidyl-methylazanium is [CH2-][NH+](C)Cc1ccc(OC)cc1F.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)methyl-methanidyl-methylazanium?
The InChIKey is GRTSZSABCJRDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-12(2)7-8-4-5-9(13-3)6-10(8)11/h4-6,12H,1,7H2,2-3H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)methyl-methanidyl-methylazanium?
(2-fluoro-4-methoxyphenyl)methyl-methanidyl-methylazanium has a molecular weight of 183.23 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)methyl-methanidyl-methylazanium is sourced from PubChem (CID 59280650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).