CID 155696635

C8H10BNO — CID 155696635

IUPAC—
SMILES[B]c1cc(OC)ccc1CN
InChIInChI=1S/C8H10BNO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,5,10H2,1H3
InChIKeyHXXQMTQROZTHNH-UHFFFAOYSA-N
MW146.99 g/mol
LogP-0.05
Rot. Bonds2

About CID 155696635

CID 155696635 (PubChem CID 155696635) has the molecular formula C8H10BNO and a molecular weight of 146.99 g/mol.

Molecular Properties

Compound NameCID 155696635
PubChem CID155696635
Molecular FormulaC8H10BNO
Molecular Weight146.99 g/mol
Exact Mass147.09
IUPAC Name—
SMILES[B]c1cc(OC)ccc1CN
InChIInChI=1S/C8H10BNO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,5,10H2,1H3
InChIKeyHXXQMTQROZTHNH-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'}

Analyze CID 155696635 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

(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
2-(aminomethyl)-5-methoxyphenol;ethane
CID 154662698
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
(2-iodo-4-methoxyphenyl)methanamine;hydrochloride
CID 170917022
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline
CID 81299533
(1-ethyl-7-methoxynaphthalen-2-yl)methanamine
CID 115057640
(2-ethynyl-5-methoxyphenyl)methanamine
CID 130535133
2-(aminomethyl)-4-methoxybenzonitrile
CID 22464511
[2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 82918459
[2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine
CID 81299926
[2-(2,4-dimethylphenyl)-4-methoxyphenyl]methanamine
CID 141455779

Frequently Asked Questions

What is the IUPAC name of CID 155696635?
The IUPAC name of CID 155696635 (CID 155696635) is not available.
What is the SMILES notation for CID 155696635?
The canonical SMILES for CID 155696635 is [B]c1cc(OC)ccc1CN.
What is the InChIKey of CID 155696635?
The InChIKey is HXXQMTQROZTHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BNO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,5,10H2,1H3.
What are the key properties of CID 155696635?
CID 155696635 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 155696635 is sourced from PubChem (CID 155696635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).