N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride

C15H16Cl3NO — CID 126796280

IUPACN-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride
SMILESCCNCc1ccccc1Oc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C15H15Cl2NO.ClH/c1-2-18-10-11-5-3-4-6-15(11)19-12-7-8-13(16)14(17)9-12;/h3-9,18H,2,10H2,1H3;1H
InChIKeyJQFCOJWZJNCDAJ-UHFFFAOYSA-N
MW332.66 g/mol
LogP5.32
Rot. Bonds5

About N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride

N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride (PubChem CID 126796280) has the molecular formula C15H16Cl3NO and a molecular weight of 332.66 g/mol. Its IUPAC name is N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride
PubChem CID126796280
Molecular FormulaC15H16Cl3NO
Molecular Weight332.66 g/mol
Exact Mass331.03
IUPAC NameN-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride
SMILESCCNCc1ccccc1Oc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C15H15Cl2NO.ClH/c1-2-18-10-11-5-3-4-6-15(11)19-12-7-8-13(16)14(17)9-12;/h3-9,18H,2,10H2,1H3;1H
InChIKeyJQFCOJWZJNCDAJ-UHFFFAOYSA-N
XLogP5.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.66
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;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

N-[[2-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 63497555
[2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride
CID 19926666
N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81251160
N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methyl]ethanamine
CID 63552028
N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
CID 54880707
N-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
CID 114857375
N-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine
CID 114856344
N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine
CID 114857685
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250523
N-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62323648
1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 63552208
2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetyl chloride
CID 66573868

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride (CID 126796280) is N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride is CCNCc1ccccc1Oc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride?
The InChIKey is JQFCOJWZJNCDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO.ClH/c1-2-18-10-11-5-3-4-6-15(11)19-12-7-8-13(16)14(17)9-12;/h3-9,18H,2,10H2,1H3;1H.
What are the key properties of N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride?
N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride has a molecular weight of 332.66 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 126796280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).