2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride

C9H13Cl2NO — CID 45259762

IUPAC2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride
SMILESCCc1cc(Cl)c(O)c(CN)c1.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-2-6-3-7(5-11)9(12)8(10)4-6;/h3-4,12H,2,5,11H2,1H3;1H
InChIKeyQOXFUJVNJFNVEC-UHFFFAOYSA-N
MW222.11 g/mol
LogP2.49
Rot. Bonds2

About 2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride

2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride (PubChem CID 45259762) has the molecular formula C9H13Cl2NO and a molecular weight of 222.11 g/mol. Its IUPAC name is 2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride
PubChem CID45259762
Molecular FormulaC9H13Cl2NO
Molecular Weight222.11 g/mol
Exact Mass221.04
IUPAC Name2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride
SMILESCCc1cc(Cl)c(O)c(CN)c1.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-2-6-3-7(5-11)9(12)8(10)4-6;/h3-4,12H,2,5,11H2,1H3;1H
InChIKeyQOXFUJVNJFNVEC-UHFFFAOYSA-N
XLogP2.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol
CID 117305990
3-chloro-5-ethylbenzene-1,2-diol
CID 84654490
2-(aminomethyl)-6-chloro-4-propan-2-ylphenol
CID 12652136
3-(3-chloro-5-ethyl-2-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 117395228
2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol
CID 117387726
4-amino-2-chloro-6-ethylphenol
CID 91674507
2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol
CID 84690065
4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride
CID 23071601
2-(aminomethyl)-6-chloro-4-cyclohexylphenol;hydrochloride
CID 45259791
(5-ethyl-2,3-dimethylphenyl)methanamine
CID 117276223
4-ethyl-2,6-dipropylphenol
CID 66879596
2-(aminomethyl)-4,6-dibutylphenol
CID 167065415

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride?
The IUPAC name of 2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride (CID 45259762) is 2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride is CCc1cc(Cl)c(O)c(CN)c1.Cl.
What is the InChIKey of 2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride?
The InChIKey is QOXFUJVNJFNVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO.ClH/c1-2-6-3-7(5-11)9(12)8(10)4-6;/h3-4,12H,2,5,11H2,1H3;1H.
What are the key properties of 2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride?
2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride has a molecular weight of 222.11 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride is sourced from PubChem (CID 45259762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).