2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride

C17H19Cl4NO — CID 17208622

IUPAC2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCCOc1c(Cl)cc(Cl)cc1CNCCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H18Cl3NO.ClH/c1-2-22-17-13(9-15(19)10-16(17)20)11-21-8-7-12-3-5-14(18)6-4-12;/h3-6,9-10,21H,2,7-8,11H2,1H3;1H
InChIKeyKKGCIKWRMDCZEY-UHFFFAOYSA-N
MW395.16 g/mol
LogP5.80
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride

2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride (PubChem CID 17208622) has the molecular formula C17H19Cl4NO and a molecular weight of 395.16 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
PubChem CID17208622
Molecular FormulaC17H19Cl4NO
Molecular Weight395.16 g/mol
Exact Mass393.02
IUPAC Name2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCCOc1c(Cl)cc(Cl)cc1CNCCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H18Cl3NO.ClH/c1-2-22-17-13(9-15(19)10-16(17)20)11-21-8-7-12-3-5-14(18)6-4-12;/h3-6,9-10,21H,2,7-8,11H2,1H3;1H
InChIKeyKKGCIKWRMDCZEY-UHFFFAOYSA-N
XLogP5.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.16
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17294143
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 29225270
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 17208572
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]heptan-1-amine
CID 4717568
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 17158093
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride
CID 163328823
3-butoxy-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17207804
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(4-chlorophenyl)ethanamine
CID 66530676
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
CID 17208464
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(4-chlorophenyl)ethanamine
CID 17208508
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 35697832
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 17209034

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride (CID 17208622) is 2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride is CCOc1c(Cl)cc(Cl)cc1CNCCc1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride?
The InChIKey is KKGCIKWRMDCZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl3NO.ClH/c1-2-22-17-13(9-15(19)10-16(17)20)11-21-8-7-12-3-5-14(18)6-4-12;/h3-6,9-10,21H,2,7-8,11H2,1H3;1H.
What are the key properties of 2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride?
2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 395.16 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17208622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).