2-(3-methylphenyl)ethanamine;hydrochloride

C9H14ClN — CID 47003273

IUPAC2-(3-methylphenyl)ethanamine;hydrochloride
SMILESCc1cccc(CCN)c1.Cl
InChIInChI=1S/C9H13N.ClH/c1-8-3-2-4-9(7-8)5-6-10;/h2-4,7H,5-6,10H2,1H3;1H
InChIKeyDRTQWHWCZWPFCO-UHFFFAOYSA-N
MW171.67 g/mol
LogP1.92
Rot. Bonds2

About 2-(3-methylphenyl)ethanamine;hydrochloride

2-(3-methylphenyl)ethanamine;hydrochloride (PubChem CID 47003273) has the molecular formula C9H14ClN and a molecular weight of 171.67 g/mol. Its IUPAC name is 2-(3-methylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-methylphenyl)ethanamine;hydrochloride
PubChem CID47003273
Molecular FormulaC9H14ClN
Molecular Weight171.67 g/mol
Exact Mass171.08
IUPAC Name2-(3-methylphenyl)ethanamine;hydrochloride
SMILESCc1cccc(CCN)c1.Cl
InChIInChI=1S/C9H13N.ClH/c1-8-3-2-4-9(7-8)5-6-10;/h2-4,7H,5-6,10H2,1H3;1H
InChIKeyDRTQWHWCZWPFCO-UHFFFAOYSA-N
XLogP1.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-methylphenyl)propan-1-amine
CID 12666388
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
ethane;4-(3-methylphenyl)butan-1-amine
CID 142116258
2-[3-(4-methylphenyl)phenyl]ethanamine
CID 66523842
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
2-(3-methylphenyl)ethanolate
CID 142208639
2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 20987766
2-[3-(2,4-dimethylphenyl)phenyl]ethanamine
CID 82115094
2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
2-[3-(2-fluoro-4-methylphenyl)phenyl]ethanamine
CID 110282368
2,2-difluoro-4-(3-methylphenyl)butan-1-amine
CID 118527282
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(3-methylphenyl)ethanamine;hydrochloride (CID 47003273) is 2-(3-methylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3-methylphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3-methylphenyl)ethanamine;hydrochloride is Cc1cccc(CCN)c1.Cl.
What is the InChIKey of 2-(3-methylphenyl)ethanamine;hydrochloride?
The InChIKey is DRTQWHWCZWPFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.ClH/c1-8-3-2-4-9(7-8)5-6-10;/h2-4,7H,5-6,10H2,1H3;1H.
What are the key properties of 2-(3-methylphenyl)ethanamine;hydrochloride?
2-(3-methylphenyl)ethanamine;hydrochloride has a molecular weight of 171.67 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 47003273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).