3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride

C15H17ClN2O2 — CID 82253521

IUPAC3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C15H16N2O2.ClH/c16-15(17)12-5-4-8-14(11-12)19-10-9-18-13-6-2-1-3-7-13;/h1-8,11H,9-10H2,(H3,16,17);1H
InChIKeyZPTHEZFIYFZNCD-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.85
Rot. Bonds6

About 3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride

3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride (PubChem CID 82253521) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride
PubChem CID82253521
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C15H16N2O2.ClH/c16-15(17)12-5-4-8-14(11-12)19-10-9-18-13-6-2-1-3-7-13;/h1-8,11H,9-10H2,(H3,16,17);1H
InChIKeyZPTHEZFIYFZNCD-UHFFFAOYSA-N
XLogP2.85
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 24702581
1-[4-[3-(3-carbamimidoylphenoxy)propoxy]phenyl]-3-phenylurea
CID 100961082
3-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 115514127
4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61299239
3-[3-(4-carbamimidoylphenoxy)-2-hydroxypropoxy]benzenecarboximidamide
CID 141009968
3-[3-(2,2,2-trifluoroethoxy)propoxy]benzenecarboximidamide
CID 61491165
3-(cyclopropylmethoxymethoxy)benzenecarboximidamide
CID 106929697
3-[[3-[(3-carbamimidoylphenoxy)methyl]-5-methylphenyl]methoxy]benzenecarboximidamide;dihydrochloride
CID 156508315
3-(cyclobutylmethoxy)benzenecarboximidamide
CID 42656936
3-[3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxopiperazin-1-yl]propoxy]benzenecarboximidamide
CID 10238663
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
(2S)-2-amino-N-[3-(3-carbamimidoylphenoxy)propyl]propanamide
CID 59749242

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride?
The IUPAC name of 3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride (CID 82253521) is 3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride?
The canonical SMILES for 3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of 3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride?
The InChIKey is ZPTHEZFIYFZNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.ClH/c16-15(17)12-5-4-8-14(11-12)19-10-9-18-13-6-2-1-3-7-13;/h1-8,11H,9-10H2,(H3,16,17);1H.
What are the key properties of 3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride?
3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride has a molecular weight of 292.77 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82253521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).