1-(3-methoxyphenyl)ethylideneazanium

C9H12NO+ — CID 135086476

IUPAC1-(3-methoxyphenyl)ethylideneazanium
SMILESCOc1cccc(C(C)=[NH2+])c1
InChIInChI=1S/C9H11NO/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6,10H,1-2H3/p+1
InChIKeyXWJBGKUIJDHEGY-UHFFFAOYSA-O
MW150.20 g/mol
LogP0.26
Rot. Bonds2

About 1-(3-methoxyphenyl)ethylideneazanium

1-(3-methoxyphenyl)ethylideneazanium (PubChem CID 135086476) has the molecular formula C9H12NO+ and a molecular weight of 150.20 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)ethylideneazanium.

Molecular Properties

Compound Name1-(3-methoxyphenyl)ethylideneazanium
PubChem CID135086476
Molecular FormulaC9H12NO+
Molecular Weight150.20 g/mol
Exact Mass150.09
IUPAC Name1-(3-methoxyphenyl)ethylideneazanium
SMILESCOc1cccc(C(C)=[NH2+])c1
InChIInChI=1S/C9H11NO/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6,10H,1-2H3/p+1
InChIKeyXWJBGKUIJDHEGY-UHFFFAOYSA-O
XLogP0.26
TPSA34.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
1-(1-iodoethenyl)-3-methoxybenzene
CID 102579416
(Z)-2-(3-methoxyphenyl)but-2-enenitrile
CID 10035075
1-methoxy-3-pent-2-en-3-ylbenzene
CID 54347548
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene
CID 122403772
1-methoxy-3-(1-phenylethenyl)benzene
CID 15680509
(3Z)-4-(3-methoxyphenyl)buta-1,3-diene-1,1,4-triamine
CID 178030390
CID 172849383
CID 172849383
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
3-(3-methoxyphenyl)-4-methylpent-3-en-1-ol
CID 102102749

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)ethylideneazanium?
The IUPAC name of 1-(3-methoxyphenyl)ethylideneazanium (CID 135086476) is 1-(3-methoxyphenyl)ethylideneazanium.
What is the SMILES notation for 1-(3-methoxyphenyl)ethylideneazanium?
The canonical SMILES for 1-(3-methoxyphenyl)ethylideneazanium is COc1cccc(C(C)=[NH2+])c1.
What is the InChIKey of 1-(3-methoxyphenyl)ethylideneazanium?
The InChIKey is XWJBGKUIJDHEGY-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11NO/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6,10H,1-2H3/p+1.
What are the key properties of 1-(3-methoxyphenyl)ethylideneazanium?
1-(3-methoxyphenyl)ethylideneazanium has a molecular weight of 150.20 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)ethylideneazanium is sourced from PubChem (CID 135086476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).