2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride

C9H13Cl2N — CID 71089492

IUPAC2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
SMILESCc1cc(Cl)ccc1CCN.Cl
InChIInChI=1S/C9H12ClN.ClH/c1-7-6-9(10)3-2-8(7)4-5-11;/h2-3,6H,4-5,11H2,1H3;1H
InChIKeyCSVKMJBRXSDVSE-UHFFFAOYSA-N
MW206.12 g/mol
LogP2.57
Rot. Bonds2

About 2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride

2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride (PubChem CID 71089492) has the molecular formula C9H13Cl2N and a molecular weight of 206.12 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
PubChem CID71089492
Molecular FormulaC9H13Cl2N
Molecular Weight206.12 g/mol
Exact Mass205.04
IUPAC Name2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
SMILESCc1cc(Cl)ccc1CCN.Cl
InChIInChI=1S/C9H12ClN.ClH/c1-7-6-9(10)3-2-8(7)4-5-11;/h2-3,6H,4-5,11H2,1H3;1H
InChIKeyCSVKMJBRXSDVSE-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-chloro-2-methylphenyl)butan-1-amine
CID 82282107
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
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4-chloro-1-(iodomethyl)-2-methylbenzene
CID 91883696
2-[4-[(4-chlorophenyl)methylsulfanyl]-2-methylphenyl]ethanamine
CID 114792485
4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline
CID 63785395
4-(2-aminoethyl)-3-methylbenzenethiol;ethane
CID 168898017
2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride
CID 54602364
2-(4-chloro-2-iodophenyl)ethanamine
CID 130050912
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine
CID 82727632
2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 115464889
2-[4-chloro-2-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 114866036

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride (CID 71089492) is 2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride is Cc1cc(Cl)ccc1CCN.Cl.
What is the InChIKey of 2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride?
The InChIKey is CSVKMJBRXSDVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN.ClH/c1-7-6-9(10)3-2-8(7)4-5-11;/h2-3,6H,4-5,11H2,1H3;1H.
What are the key properties of 2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride?
2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride has a molecular weight of 206.12 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 71089492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).