N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride

C20H25Cl4NO2 — CID 17291021

IUPACN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride
SMILESCCCCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1.Cl
InChIInChI=1S/C20H24Cl3NO2.ClH/c1-3-4-5-8-24-12-14-9-18(23)20(19(10-14)25-2)26-13-15-6-7-16(21)11-17(15)22;/h6-7,9-11,24H,3-5,8,12-13H2,1-2H3;1H
InChIKeyVYNQDHREIBXDEN-UHFFFAOYSA-N
MW453.24 g/mol
LogP6.94
Rot. Bonds10

About N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride

N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride (PubChem CID 17291021) has the molecular formula C20H25Cl4NO2 and a molecular weight of 453.24 g/mol. Its IUPAC name is N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride
PubChem CID17291021
Molecular FormulaC20H25Cl4NO2
Molecular Weight453.24 g/mol
Exact Mass451.06
IUPAC NameN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride
SMILESCCCCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1.Cl
InChIInChI=1S/C20H24Cl3NO2.ClH/c1-3-4-5-8-24-12-14-9-18(23)20(19(10-14)25-2)26-13-15-6-7-16(21)11-17(15)22;/h6-7,9-11,24H,3-5,8,12-13H2,1-2H3;1H
InChIKeyVYNQDHREIBXDEN-UHFFFAOYSA-N
XLogP6.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.24
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride
CID 17291020
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209702
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]butan-1-amine;hydrochloride
CID 155971329
2-[3-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214160
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride
CID 17331190
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine
CID 4716681
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720885
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17288941
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 17207288
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332495
N-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride
CID 17055583
N'-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-N-ethylpropane-1,3-diamine
CID 17215530

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride?
The IUPAC name of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride (CID 17291021) is N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride.
What is the SMILES notation for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride?
The canonical SMILES for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride is CCCCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1.Cl.
What is the InChIKey of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride?
The InChIKey is VYNQDHREIBXDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl3NO2.ClH/c1-3-4-5-8-24-12-14-9-18(23)20(19(10-14)25-2)26-13-15-6-7-16(21)11-17(15)22;/h6-7,9-11,24H,3-5,8,12-13H2,1-2H3;1H.
What are the key properties of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride?
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride has a molecular weight of 453.24 g/mol, XLogP of 6.94, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride is sourced from PubChem (CID 17291021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).