[amino-(2-propoxyphenyl)methylidene]azanium chloride

C10H15ClN2O — CID 45040292

IUPAC[amino-(2-propoxyphenyl)methylidene]azanium chloride
SMILESCCCOc1ccccc1C(N)=[NH2+].[Cl-]
InChIInChI=1S/C10H14N2O.ClH/c1-2-7-13-9-6-4-3-5-8(9)10(11)12;/h3-6H,2,7H2,1H3,(H3,11,12);1H
InChIKeyXZHKVYYQQVEUBZ-UHFFFAOYSA-N
MW214.70 g/mol
LogP-3.06
Rot. Bonds4

About [amino-(2-propoxyphenyl)methylidene]azanium chloride

[amino-(2-propoxyphenyl)methylidene]azanium chloride (PubChem CID 45040292) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is [amino-(2-propoxyphenyl)methylidene]azanium chloride.

Molecular Properties

Compound Name[amino-(2-propoxyphenyl)methylidene]azanium chloride
PubChem CID45040292
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name[amino-(2-propoxyphenyl)methylidene]azanium chloride
SMILESCCCOc1ccccc1C(N)=[NH2+].[Cl-]
InChIInChI=1S/C10H14N2O.ClH/c1-2-7-13-9-6-4-3-5-8(9)10(11)12;/h3-6H,2,7H2,1H3,(H3,11,12);1H
InChIKeyXZHKVYYQQVEUBZ-UHFFFAOYSA-N
XLogP-3.06
TPSA60.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 5-3.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-nonoxybenzenecarbothioamide
CID 43129448
2-hexoxybenzenecarbothioamide
CID 22684505
N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide
CID 43200019
carbonic acid;propyl 2-propoxybenzoate
CID 69345278
2-(2-butoxyethoxy)benzenecarbothioamide
CID 29001981
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
2-[2-(2-methoxyphenoxy)ethoxy]benzenecarbothioamide
CID 22683395
phenyl-(2-propoxyphenyl)methanone
CID 15556308
pentyl 2-propoxybenzoate
CID 70564677
2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659274
(2-propoxyphenyl)-pyridin-4-ylmethanone
CID 113438187
2-(3-ethylsulfonylpropoxy)benzenecarbothioamide
CID 65092803

Frequently Asked Questions

What is the IUPAC name of [amino-(2-propoxyphenyl)methylidene]azanium chloride?
The IUPAC name of [amino-(2-propoxyphenyl)methylidene]azanium chloride (CID 45040292) is [amino-(2-propoxyphenyl)methylidene]azanium chloride.
What is the SMILES notation for [amino-(2-propoxyphenyl)methylidene]azanium chloride?
The canonical SMILES for [amino-(2-propoxyphenyl)methylidene]azanium chloride is CCCOc1ccccc1C(N)=[NH2+].[Cl-].
What is the InChIKey of [amino-(2-propoxyphenyl)methylidene]azanium chloride?
The InChIKey is XZHKVYYQQVEUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.ClH/c1-2-7-13-9-6-4-3-5-8(9)10(11)12;/h3-6H,2,7H2,1H3,(H3,11,12);1H.
What are the key properties of [amino-(2-propoxyphenyl)methylidene]azanium chloride?
[amino-(2-propoxyphenyl)methylidene]azanium chloride has a molecular weight of 214.70 g/mol, XLogP of -3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(2-propoxyphenyl)methylidene]azanium chloride is sourced from PubChem (CID 45040292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).