aniline;methanol

C9H19NO3 — CID 140536335

IUPACaniline;methanol
SMILESCO.CO.CO.Nc1ccccc1
InChIInChI=1S/C6H7N.3CH4O/c7-6-4-2-1-3-5-6;3*1-2/h1-5H,7H2;3*2H,1H3
InChIKeyBQHQASDILURFAI-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.09
Rot. Bonds

About aniline;methanol

aniline;methanol (PubChem CID 140536335) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is aniline;methanol.

Molecular Properties

Compound Nameaniline;methanol
PubChem CID140536335
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameaniline;methanol
SMILESCO.CO.CO.Nc1ccccc1
InChIInChI=1S/C6H7N.3CH4O/c7-6-4-2-1-3-5-6;3*1-2/h1-5H,7H2;3*2H,1H3
InChIKeyBQHQASDILURFAI-UHFFFAOYSA-N
XLogP0.09
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Aniline
CID 6115
Arsanilic Acid
CID 7389
Benzenamine hydrochloride (1:1)
CID 8870
p-Aminophenylmercuric acetate
CID 16682983
3-Aminophenylboronic acid
CID 92269
Benzenamine, hydrobromide (1:1)
CID 68330
Phosphoramidic acid, phenyl-, diethyl ester
CID 15049
Aniline-d5
CID 123211
2-Aminophenylarsonic acid
CID 73161
{[(Tert-butyl)amino]sulfonyl}phenylamine
CID 1380811
(4-Aminophenyl)boronic acid hydrochloride
CID 2734614
4-Aminophenylboronic acid
CID 2734615

Frequently Asked Questions

What is the IUPAC name of aniline;methanol?
The IUPAC name of aniline;methanol (CID 140536335) is aniline;methanol.
What is the SMILES notation for aniline;methanol?
The canonical SMILES for aniline;methanol is CO.CO.CO.Nc1ccccc1.
What is the InChIKey of aniline;methanol?
The InChIKey is BQHQASDILURFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.3CH4O/c7-6-4-2-1-3-5-6;3*1-2/h1-5H,7H2;3*2H,1H3.
What are the key properties of aniline;methanol?
aniline;methanol has a molecular weight of 189.25 g/mol, XLogP of 0.09, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;methanol is sourced from PubChem (CID 140536335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).