2-(4-propan-2-ylphenyl)ethanamine;hydrochloride

C11H18ClN — CID 3045699

IUPAC2-(4-propan-2-ylphenyl)ethanamine;hydrochloride
SMILESCC(C)c1ccc(CCN)cc1.Cl
InChIInChI=1S/C11H17N.ClH/c1-9(2)11-5-3-10(4-6-11)7-8-12;/h3-6,9H,7-8,12H2,1-2H3;1H
InChIKeyNWRYIWFBCRAGSR-UHFFFAOYSA-N
MW199.72 g/mol
LogP2.73
Rot. Bonds3

About 2-(4-propan-2-ylphenyl)ethanamine;hydrochloride

2-(4-propan-2-ylphenyl)ethanamine;hydrochloride (PubChem CID 3045699) has the molecular formula C11H18ClN and a molecular weight of 199.72 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)ethanamine;hydrochloride
PubChem CID3045699
Molecular FormulaC11H18ClN
Molecular Weight199.72 g/mol
Exact Mass199.11
IUPAC Name2-(4-propan-2-ylphenyl)ethanamine;hydrochloride
SMILESCC(C)c1ccc(CCN)cc1.Cl
InChIInChI=1S/C11H17N.ClH/c1-9(2)11-5-3-10(4-6-11)7-8-12;/h3-6,9H,7-8,12H2,1-2H3;1H
InChIKeyNWRYIWFBCRAGSR-UHFFFAOYSA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.72
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(4-propan-2-ylphenyl)ethanamine;hydrochloride (CID 3045699) is 2-(4-propan-2-ylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(4-propan-2-ylphenyl)ethanamine;hydrochloride is CC(C)c1ccc(CCN)cc1.Cl.
What is the InChIKey of 2-(4-propan-2-ylphenyl)ethanamine;hydrochloride?
The InChIKey is NWRYIWFBCRAGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.ClH/c1-9(2)11-5-3-10(4-6-11)7-8-12;/h3-6,9H,7-8,12H2,1-2H3;1H.
What are the key properties of 2-(4-propan-2-ylphenyl)ethanamine;hydrochloride?
2-(4-propan-2-ylphenyl)ethanamine;hydrochloride has a molecular weight of 199.72 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 3045699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).