(2,6-diethoxyphenyl)methanamine;hydrochloride

C11H18ClNO2 — CID 19835684

IUPAC(2,6-diethoxyphenyl)methanamine;hydrochloride
SMILESCCOc1cccc(OCC)c1CN.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-3-13-10-6-5-7-11(14-4-2)9(10)8-12;/h5-7H,3-4,8,12H2,1-2H3;1H
InChIKeyHKHKKPJODACHAX-UHFFFAOYSA-N
MW231.72 g/mol
LogP2.36
Rot. Bonds5

About (2,6-diethoxyphenyl)methanamine;hydrochloride

(2,6-diethoxyphenyl)methanamine;hydrochloride (PubChem CID 19835684) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is (2,6-diethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,6-diethoxyphenyl)methanamine;hydrochloride
PubChem CID19835684
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name(2,6-diethoxyphenyl)methanamine;hydrochloride
SMILESCCOc1cccc(OCC)c1CN.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-3-13-10-6-5-7-11(14-4-2)9(10)8-12;/h5-7H,3-4,8,12H2,1-2H3;1H
InChIKeyHKHKKPJODACHAX-UHFFFAOYSA-N
XLogP2.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,6-diethoxyphenyl)methanamine;hydrochloride 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-Ethoxybenzylamine
CID 123465
(3,5-Dimethoxyphenyl)methanamine
CID 420973
(+-)-2,4,6-Trimethoxyamphetamine
CID 31015
2,4-Dimethoxybenzylamine
CID 597250
Acetamide, N-((2,6-dimethoxyphenyl)methyl)-
CID 18718180
2-Methoxybenzylamine
CID 81292
2,4-Dimethoxythiobenzamide
CID 3857241
2,4-Dimethoxyamphetamine
CID 141047
(2-Phenoxyphenyl)methanamine
CID 17749841
1-(2-Isopropoxyphenyl)methanamine
CID 735893
[2-(Cyclopentyloxy)phenyl]methanamine
CID 16793964
2-(2,4-Dimethoxyphenyl)ethan-1-amine
CID 417604

Frequently Asked Questions

What is the IUPAC name of (2,6-diethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (2,6-diethoxyphenyl)methanamine;hydrochloride (CID 19835684) is (2,6-diethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (2,6-diethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (2,6-diethoxyphenyl)methanamine;hydrochloride is CCOc1cccc(OCC)c1CN.Cl.
What is the InChIKey of (2,6-diethoxyphenyl)methanamine;hydrochloride?
The InChIKey is HKHKKPJODACHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.ClH/c1-3-13-10-6-5-7-11(14-4-2)9(10)8-12;/h5-7H,3-4,8,12H2,1-2H3;1H.
What are the key properties of (2,6-diethoxyphenyl)methanamine;hydrochloride?
(2,6-diethoxyphenyl)methanamine;hydrochloride has a molecular weight of 231.72 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 19835684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).