1-(4-methylphenyl)ethanimine;hydrochloride

C9H12ClN — CID 131845076

IUPAC1-(4-methylphenyl)ethanimine;hydrochloride
SMILESCl.[H]/N=C(\C)c1ccc(C)cc1
InChIInChI=1S/C9H11N.ClH/c1-7-3-5-9(6-4-7)8(2)10;/h3-6,10H,1-2H3;1H/b10-8+;
InChIKeyHEWJFYPPSXYHSR-VRTOBVRTSA-N
MW169.65 g/mol
LogP2.80
Rot. Bonds1

About 1-(4-methylphenyl)ethanimine;hydrochloride

1-(4-methylphenyl)ethanimine;hydrochloride (PubChem CID 131845076) has the molecular formula C9H12ClN and a molecular weight of 169.65 g/mol. Its IUPAC name is 1-(4-methylphenyl)ethanimine;hydrochloride.

Molecular Properties

Compound Name1-(4-methylphenyl)ethanimine;hydrochloride
PubChem CID131845076
Molecular FormulaC9H12ClN
Molecular Weight169.65 g/mol
Exact Mass169.07
IUPAC Name1-(4-methylphenyl)ethanimine;hydrochloride
SMILESCl.[H]/N=C(\C)c1ccc(C)cc1
InChIInChI=1S/C9H11N.ClH/c1-7-3-5-9(6-4-7)8(2)10;/h3-6,10H,1-2H3;1H/b10-8+;
InChIKeyHEWJFYPPSXYHSR-VRTOBVRTSA-N
XLogP2.80
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.65
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butylphenyl)ethanimine
CID 20718021
4-ethanimidoylbenzenecarboximidamide
CID 148687988
ethane;1-phenylethanimine
CID 91121262
methane;1-(4-propan-2-ylphenyl)ethanimine
CID 158544524
methyl 4-methylbenzenecarboximidate;hydrochloride
CID 13090219
ethane;4-methylbenzenecarboximidoyl chloride
CID 142027838
1-(4-pyrrol-1-ylphenyl)ethanimine
CID 145051037
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine
CID 143554696
1-(3-methoxy-4-methylphenyl)ethanimine
CID 142083574
1-(4-phenanthren-9-ylphenyl)ethanimine
CID 163584495
1-(3-bromo-5-methylphenyl)ethanimine
CID 90945555

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)ethanimine;hydrochloride?
The IUPAC name of 1-(4-methylphenyl)ethanimine;hydrochloride (CID 131845076) is 1-(4-methylphenyl)ethanimine;hydrochloride.
What is the SMILES notation for 1-(4-methylphenyl)ethanimine;hydrochloride?
The canonical SMILES for 1-(4-methylphenyl)ethanimine;hydrochloride is Cl.[H]/N=C(\C)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)ethanimine;hydrochloride?
The InChIKey is HEWJFYPPSXYHSR-VRTOBVRTSA-N. The full InChI is InChI=1S/C9H11N.ClH/c1-7-3-5-9(6-4-7)8(2)10;/h3-6,10H,1-2H3;1H/b10-8+;.
What are the key properties of 1-(4-methylphenyl)ethanimine;hydrochloride?
1-(4-methylphenyl)ethanimine;hydrochloride has a molecular weight of 169.65 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)ethanimine;hydrochloride is sourced from PubChem (CID 131845076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).