2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine

C11H15Cl2NO — CID 82550874

IUPAC2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1c(Cl)cc(CCNC)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-3-15-11-9(12)6-8(4-5-14-2)7-10(11)13/h6-7,14H,3-5H2,1-2H3
InChIKeyVBHCFNVJCPFHJK-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.15
Rot. Bonds5

About 2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine

2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine (PubChem CID 82550874) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine
PubChem CID82550874
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1c(Cl)cc(CCNC)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-3-15-11-9(12)6-8(4-5-14-2)7-10(11)13/h6-7,14H,3-5H2,1-2H3
InChIKeyVBHCFNVJCPFHJK-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine 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-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 82550820
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 17155612
2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 117422639
2-(5-chloro-2-ethoxy-3-methylphenyl)-N-methylethanamine
CID 83893095
2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine
CID 117428032
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17156809
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17157748
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17159636
4-[2-(3-chloro-4,5-diethoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 20992240
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 17158474
2-(2-ethoxy-4-pyridinyl)-N-methylethanamine
CID 83875505
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 17208572

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine (CID 82550874) is 2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine is CCOc1c(Cl)cc(CCNC)cc1Cl.
What is the InChIKey of 2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine?
The InChIKey is VBHCFNVJCPFHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-3-15-11-9(12)6-8(4-5-14-2)7-10(11)13/h6-7,14H,3-5H2,1-2H3.
What are the key properties of 2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine?
2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine has a molecular weight of 248.15 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 82550874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).