2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol

C10H14ClNO — CID 84669167

IUPAC2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol
SMILESCc1cc(C)c(CCN)c(O)c1Cl
InChIInChI=1S/C10H14ClNO/c1-6-5-7(2)9(11)10(13)8(6)3-4-12/h5,13H,3-4,12H2,1-2H3
InChIKeyHVBSLJGHJHCNJH-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.16
Rot. Bonds2

About 2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol

2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol (PubChem CID 84669167) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol
PubChem CID84669167
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol
SMILESCc1cc(C)c(CCN)c(O)c1Cl
InChIInChI=1S/C10H14ClNO/c1-6-5-7(2)9(11)10(13)8(6)3-4-12/h5,13H,3-4,12H2,1-2H3
InChIKeyHVBSLJGHJHCNJH-UHFFFAOYSA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile
CID 84773777
2-(2-aminoethyl)-3-chloro-4-methylphenol
CID 84769890
2-chloro-3,5-dimethyl-6-(piperazin-1-ylmethyl)phenol
CID 117390249
3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine
CID 117328034
3,6-dichloro-4-methylbenzene-1,2-diol
CID 15618185
2-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 55253918
5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol
CID 84793357
2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117313606
4-(2-aminoethyl)-3-methoxy-5-methylphenol
CID 117278760
2-(2-aminoethyl)-6-chloro-4-methylphenol
CID 83876612
2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine
CID 82053378
2-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)ethanamine
CID 84679932

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol?
The IUPAC name of 2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol (CID 84669167) is 2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol.
What is the SMILES notation for 2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol?
The canonical SMILES for 2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol is Cc1cc(C)c(CCN)c(O)c1Cl.
What is the InChIKey of 2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol?
The InChIKey is HVBSLJGHJHCNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-6-5-7(2)9(11)10(13)8(6)3-4-12/h5,13H,3-4,12H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol?
2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol has a molecular weight of 199.68 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol is sourced from PubChem (CID 84669167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).