CID 123653070

C7H8BNO — CID 123653070

IUPAC—
SMILES[B]c1ccc(N)c(OC)c1
InChIInChI=1S/C7H8BNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3
InChIKeyHQAAJJUPAWQQJI-UHFFFAOYSA-N
MW132.96 g/mol
LogP0.07
Rot. Bonds1

About CID 123653070

CID 123653070 (PubChem CID 123653070) has the molecular formula C7H8BNO and a molecular weight of 132.96 g/mol.

Molecular Properties

Compound NameCID 123653070
PubChem CID123653070
Molecular FormulaC7H8BNO
Molecular Weight132.96 g/mol
Exact Mass133.07
IUPAC Name—
SMILES[B]c1ccc(N)c(OC)c1
InChIInChI=1S/C7H8BNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3
InChIKeyHQAAJJUPAWQQJI-UHFFFAOYSA-N
XLogP0.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.96
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717
methyl 4-amino-3-methoxybenzoate
CID 602411
2-methoxy-4-phosphorosoaniline
CID 148857801
2-amino-5-(4-amino-3-methoxyphenyl)phenol
CID 131862396
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
2,4-dimethoxyaniline;sulfuric acid
CID 160678823
4-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]-4-N-(4-amino-3-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 89352450
4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline
CID 22753068
4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride
CID 122360118
4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxyaniline
CID 103530677
2-trimethylsilylethyl 4-amino-3-methoxybenzoate
CID 10778254
4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline
CID 146642580

Frequently Asked Questions

What is the IUPAC name of CID 123653070?
The IUPAC name of CID 123653070 (CID 123653070) is not available.
What is the SMILES notation for CID 123653070?
The canonical SMILES for CID 123653070 is [B]c1ccc(N)c(OC)c1.
What is the InChIKey of CID 123653070?
The InChIKey is HQAAJJUPAWQQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3.
What are the key properties of CID 123653070?
CID 123653070 has a molecular weight of 132.96 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123653070 is sourced from PubChem (CID 123653070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).