2-methyl-5-propan-2-ylaniline;hydrochloride

C10H16ClN — CID 70565459

IUPAC2-methyl-5-propan-2-ylaniline;hydrochloride
SMILESCc1ccc(C(C)C)cc1N.Cl
InChIInChI=1S/C10H15N.ClH/c1-7(2)9-5-4-8(3)10(11)6-9;/h4-7H,11H2,1-3H3;1H
InChIKeyIUJPLOUUOZHEFE-UHFFFAOYSA-N
MW185.70 g/mol
LogP3.12
Rot. Bonds1

About 2-methyl-5-propan-2-ylaniline;hydrochloride

2-methyl-5-propan-2-ylaniline;hydrochloride (PubChem CID 70565459) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is 2-methyl-5-propan-2-ylaniline;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-propan-2-ylaniline;hydrochloride
PubChem CID70565459
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Name2-methyl-5-propan-2-ylaniline;hydrochloride
SMILESCc1ccc(C(C)C)cc1N.Cl
InChIInChI=1S/C10H15N.ClH/c1-7(2)9-5-4-8(3)10(11)6-9;/h4-7H,11H2,1-3H3;1H
InChIKeyIUJPLOUUOZHEFE-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(2-methyl-5-propan-2-ylphenyl)hydrazine;hydrochloride
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(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol
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methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
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1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
(1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol
CID 59964195
1-(3-amino-4-methylphenyl)-1-chloropropan-2-one
CID 118815436
3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82492113
5-(1-amino-2-methoxyethyl)-2-methylaniline
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2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-ylaniline;hydrochloride?
The IUPAC name of 2-methyl-5-propan-2-ylaniline;hydrochloride (CID 70565459) is 2-methyl-5-propan-2-ylaniline;hydrochloride.
What is the SMILES notation for 2-methyl-5-propan-2-ylaniline;hydrochloride?
The canonical SMILES for 2-methyl-5-propan-2-ylaniline;hydrochloride is Cc1ccc(C(C)C)cc1N.Cl.
What is the InChIKey of 2-methyl-5-propan-2-ylaniline;hydrochloride?
The InChIKey is IUJPLOUUOZHEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.ClH/c1-7(2)9-5-4-8(3)10(11)6-9;/h4-7H,11H2,1-3H3;1H.
What are the key properties of 2-methyl-5-propan-2-ylaniline;hydrochloride?
2-methyl-5-propan-2-ylaniline;hydrochloride has a molecular weight of 185.70 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-ylaniline;hydrochloride is sourced from PubChem (CID 70565459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).