[1-amino-2-(2-phenoxyphenyl)ethylidene]azanium

C14H15N2O+ — CID 6347179

IUPAC[1-amino-2-(2-phenoxyphenyl)ethylidene]azanium
SMILESNC(=[NH2+])Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C14H14N2O/c15-14(16)10-11-6-4-5-9-13(11)17-12-7-2-1-3-8-12/h1-9H,10H2,(H3,15,16)/p+1
InChIKeyVLRREQZJADEHDQ-UHFFFAOYSA-O
MW227.29 g/mol
LogP1.14
Rot. Bonds4

About [1-amino-2-(2-phenoxyphenyl)ethylidene]azanium

[1-amino-2-(2-phenoxyphenyl)ethylidene]azanium (PubChem CID 6347179) has the molecular formula C14H15N2O+ and a molecular weight of 227.29 g/mol. Its IUPAC name is [1-amino-2-(2-phenoxyphenyl)ethylidene]azanium.

Molecular Properties

Compound Name[1-amino-2-(2-phenoxyphenyl)ethylidene]azanium
PubChem CID6347179
Molecular FormulaC14H15N2O+
Molecular Weight227.29 g/mol
Exact Mass227.12
IUPAC Name[1-amino-2-(2-phenoxyphenyl)ethylidene]azanium
SMILESNC(=[NH2+])Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C14H14N2O/c15-14(16)10-11-6-4-5-9-13(11)17-12-7-2-1-3-8-12/h1-9H,10H2,(H3,15,16)/p+1
InChIKeyVLRREQZJADEHDQ-UHFFFAOYSA-O
XLogP1.14
TPSA60.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.14
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-(2-phenoxyphenyl)ethanethiol
CID 164663876
1-benzyl-2-phenoxybenzene;phosphane
CID 174871749
3-(2-phenoxyphenyl)propan-1-amine;phosphane
CID 175469418
1-(2-phenoxyphenyl)butan-2-amine
CID 63803280
[2-[(2-phenoxyphenyl)methoxy]phenyl]methanamine
CID 150298277
(2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid
CID 100551442
1-methyl-1-[(2-phenoxyphenyl)methyl]guanidine
CID 121451349
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
2-[(2-phenoxyanilino)methyl]phenol
CID 43823583
dimethyl-[(2-phenoxyphenyl)methyl]sulfanium chloride
CID 88775761
1-tert-butyl-2-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111086920
(2R)-2-[(2-phenoxyphenyl)methylsulfonyl]propanamide
CID 94087991

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-(2-phenoxyphenyl)ethylidene]azanium?
The IUPAC name of [1-amino-2-(2-phenoxyphenyl)ethylidene]azanium (CID 6347179) is [1-amino-2-(2-phenoxyphenyl)ethylidene]azanium.
What is the SMILES notation for [1-amino-2-(2-phenoxyphenyl)ethylidene]azanium?
The canonical SMILES for [1-amino-2-(2-phenoxyphenyl)ethylidene]azanium is NC(=[NH2+])Cc1ccccc1Oc1ccccc1.
What is the InChIKey of [1-amino-2-(2-phenoxyphenyl)ethylidene]azanium?
The InChIKey is VLRREQZJADEHDQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14N2O/c15-14(16)10-11-6-4-5-9-13(11)17-12-7-2-1-3-8-12/h1-9H,10H2,(H3,15,16)/p+1.
What are the key properties of [1-amino-2-(2-phenoxyphenyl)ethylidene]azanium?
[1-amino-2-(2-phenoxyphenyl)ethylidene]azanium has a molecular weight of 227.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-(2-phenoxyphenyl)ethylidene]azanium is sourced from PubChem (CID 6347179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).