CID 89164345

C8H10BNO — CID 89164345

IUPAC—
SMILES[B]c1ccc(OC)c(CN)c1
InChIInChI=1S/C8H10BNO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,5,10H2,1H3
InChIKeyWMZSOXFZLJWULQ-UHFFFAOYSA-N
MW146.99 g/mol
LogP-0.05
Rot. Bonds2

About CID 89164345

CID 89164345 (PubChem CID 89164345) has the molecular formula C8H10BNO and a molecular weight of 146.99 g/mol.

Molecular Properties

Compound NameCID 89164345
PubChem CID89164345
Molecular FormulaC8H10BNO
Molecular Weight146.99 g/mol
Exact Mass147.09
IUPAC Name—
SMILES[B]c1ccc(OC)c(CN)c1
InChIInChI=1S/C8H10BNO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,5,10H2,1H3
InChIKeyWMZSOXFZLJWULQ-UHFFFAOYSA-N
XLogP-0.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.99
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
[5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine
CID 155398742
[2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
CID 66523622
[2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine
CID 81332900
(3-methoxynaphthalen-2-yl)methanamine
CID 82504350
[2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine
CID 65338310
[5-(3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 54911914
[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338540
[5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 172653750
1-[3-(aminomethyl)-4-methoxyphenyl]-N,N-diethylethanamine
CID 105498192
[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine
CID 115484396

Frequently Asked Questions

What is the IUPAC name of CID 89164345?
The IUPAC name of CID 89164345 (CID 89164345) is not available.
What is the SMILES notation for CID 89164345?
The canonical SMILES for CID 89164345 is [B]c1ccc(OC)c(CN)c1.
What is the InChIKey of CID 89164345?
The InChIKey is WMZSOXFZLJWULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BNO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,5,10H2,1H3.
What are the key properties of CID 89164345?
CID 89164345 has a molecular weight of 146.99 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89164345 is sourced from PubChem (CID 89164345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).