2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride

C11H18ClN — CID 54602364

IUPAC2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride
SMILESCc1cc(C)c(CCN)cc1C.Cl
InChIInChI=1S/C11H17N.ClH/c1-8-6-10(3)11(4-5-12)7-9(8)2;/h6-7H,4-5,12H2,1-3H3;1H
InChIKeyBTGILAFIBLTYOO-UHFFFAOYSA-N
MW199.72 g/mol
LogP2.53
Rot. Bonds2

About 2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride

2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride (PubChem CID 54602364) has the molecular formula C11H18ClN and a molecular weight of 199.72 g/mol. Its IUPAC name is 2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride
PubChem CID54602364
Molecular FormulaC11H18ClN
Molecular Weight199.72 g/mol
Exact Mass199.11
IUPAC Name2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride
SMILESCc1cc(C)c(CCN)cc1C.Cl
InChIInChI=1S/C11H17N.ClH/c1-8-6-10(3)11(4-5-12)7-9(8)2;/h6-7H,4-5,12H2,1-3H3;1H
InChIKeyBTGILAFIBLTYOO-UHFFFAOYSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.72
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 71089492
2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
CID 59994499
N'-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,4-diamine
CID 115201423
3-(2-aminoethyl)-4-methylaniline
CID 83384141
2-(5-bromo-4-chloro-2-methylphenyl)ethanamine
CID 84803605
5-(2-aminoethyl)-2-bromo-4-methylphenol
CID 84793488
3-N-methyl-3-N-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,3-diamine
CID 117040471
2-[5-[[3-(2-aminoethyl)-4-methylphenyl]diazenyl]-2-methylphenyl]ethanamine
CID 164763755
3-(4-bromo-2,5-dimethylphenyl)propan-1-amine
CID 84801554
4-(2-aminoethyl)-3-methylbenzenethiol;ethane
CID 168898017
6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine
CID 96595185
2-(6-methyl-1-benzothiophen-5-yl)ethanamine
CID 82374408

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride (CID 54602364) is 2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride is Cc1cc(C)c(CCN)cc1C.Cl.
What is the InChIKey of 2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride?
The InChIKey is BTGILAFIBLTYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.ClH/c1-8-6-10(3)11(4-5-12)7-9(8)2;/h6-7H,4-5,12H2,1-3H3;1H.
What are the key properties of 2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride?
2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride has a molecular weight of 199.72 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 54602364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).