CID 88556046

C8H10BN — CID 88556046

IUPAC—
SMILES[B]c1cccc(C(C)N)c1
InChIInChI=1S/C8H10BN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3
InChIKeyWTMUIIXKIQBGRR-UHFFFAOYSA-N
MW130.99 g/mol
LogP0.50
Rot. Bonds1

About CID 88556046

CID 88556046 (PubChem CID 88556046) has the molecular formula C8H10BN and a molecular weight of 130.99 g/mol.

Molecular Properties

Compound NameCID 88556046
PubChem CID88556046
Molecular FormulaC8H10BN
Molecular Weight130.99 g/mol
Exact Mass131.09
IUPAC Name—
SMILES[B]c1cccc(C(C)N)c1
InChIInChI=1S/C8H10BN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3
InChIKeyWTMUIIXKIQBGRR-UHFFFAOYSA-N
XLogP0.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.99
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 88556046 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
CID 93461021
3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride
CID 53484765
(1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride
CID 168719793
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
1-[3-(4-methoxyphenoxy)phenyl]ethanamine
CID 79016052
ethane;(1R)-1-phenylethanamine
CID 142977390
(1R)-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine;hydrochloride
CID 163204291

Frequently Asked Questions

What is the IUPAC name of CID 88556046?
The IUPAC name of CID 88556046 (CID 88556046) is not available.
What is the SMILES notation for CID 88556046?
The canonical SMILES for CID 88556046 is [B]c1cccc(C(C)N)c1.
What is the InChIKey of CID 88556046?
The InChIKey is WTMUIIXKIQBGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3.
What are the key properties of CID 88556046?
CID 88556046 has a molecular weight of 130.99 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88556046 is sourced from PubChem (CID 88556046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).