methanidyl-[2-(2-phenoxyphenyl)ethyl]azanium

C15H17NO — CID 91541094

IUPACmethanidyl-[2-(2-phenoxyphenyl)ethyl]azanium
SMILES[CH2-][NH2+]CCc1ccccc1Oc1ccccc1
InChIInChI=1S/C15H17NO/c1-16-12-11-13-7-5-6-10-15(13)17-14-8-3-2-4-9-14/h2-10H,1,11-12,16H2
InChIKeyUZIICLSZMKRRFU-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.38
Rot. Bonds5

About methanidyl-[2-(2-phenoxyphenyl)ethyl]azanium

methanidyl-[2-(2-phenoxyphenyl)ethyl]azanium (PubChem CID 91541094) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is methanidyl-[2-(2-phenoxyphenyl)ethyl]azanium.

Molecular Properties

Compound Namemethanidyl-[2-(2-phenoxyphenyl)ethyl]azanium
PubChem CID91541094
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Namemethanidyl-[2-(2-phenoxyphenyl)ethyl]azanium
SMILES[CH2-][NH2+]CCc1ccccc1Oc1ccccc1
InChIInChI=1S/C15H17NO/c1-16-12-11-13-7-5-6-10-15(13)17-14-8-3-2-4-9-14/h2-10H,1,11-12,16H2
InChIKeyUZIICLSZMKRRFU-UHFFFAOYSA-N
XLogP2.38
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.38
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

2-(2-phenoxyphenyl)ethanethiol
CID 164663876
3-(2-phenoxyphenyl)propan-1-amine;phosphane
CID 175469418
1-(3,3-dimethylbutyl)-2-phenoxybenzene
CID 158619324
1-pentadecyl-2-phenoxybenzene
CID 101290758
1-benzyl-2-phenoxybenzene;phosphane
CID 174871749
4-[2-(2-phenoxyphenyl)ethyl]benzoic acid
CID 22400838
[1-amino-2-(2-phenoxyphenyl)ethylidene]azanium
CID 6347179
dimethyl-[(2-phenoxyphenyl)methyl]sulfanium chloride
CID 88775761
molecular nitrogen;1-phenoxy-2-prop-2-enylbenzene
CID 70452460
3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline
CID 67120556
[2-[(2-phenoxyphenyl)methoxy]phenyl]methanamine
CID 150298277
1,2-diphenoxy-3-propylbenzene
CID 18381159

Frequently Asked Questions

What is the IUPAC name of methanidyl-[2-(2-phenoxyphenyl)ethyl]azanium?
The IUPAC name of methanidyl-[2-(2-phenoxyphenyl)ethyl]azanium (CID 91541094) is methanidyl-[2-(2-phenoxyphenyl)ethyl]azanium.
What is the SMILES notation for methanidyl-[2-(2-phenoxyphenyl)ethyl]azanium?
The canonical SMILES for methanidyl-[2-(2-phenoxyphenyl)ethyl]azanium is [CH2-][NH2+]CCc1ccccc1Oc1ccccc1.
What is the InChIKey of methanidyl-[2-(2-phenoxyphenyl)ethyl]azanium?
The InChIKey is UZIICLSZMKRRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-16-12-11-13-7-5-6-10-15(13)17-14-8-3-2-4-9-14/h2-10H,1,11-12,16H2.
What are the key properties of methanidyl-[2-(2-phenoxyphenyl)ethyl]azanium?
methanidyl-[2-(2-phenoxyphenyl)ethyl]azanium has a molecular weight of 227.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-[2-(2-phenoxyphenyl)ethyl]azanium is sourced from PubChem (CID 91541094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).