1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride

C20H20Cl3NO3 — CID 17331636

IUPAC1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
SMILESCOc1cc(CNCc2ccco2)ccc1OCc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C20H19Cl2NO3.ClH/c1-24-20-9-14(11-23-12-17-3-2-8-25-17)4-7-19(20)26-13-15-5-6-16(21)10-18(15)22;/h2-10,23H,11-13H2,1H3;1H
InChIKeyMGVOKGQMIXKQGF-UHFFFAOYSA-N
MW428.74 g/mol
LogP5.89
Rot. Bonds8

About 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride

1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride (PubChem CID 17331636) has the molecular formula C20H20Cl3NO3 and a molecular weight of 428.74 g/mol. Its IUPAC name is 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
PubChem CID17331636
Molecular FormulaC20H20Cl3NO3
Molecular Weight428.74 g/mol
Exact Mass427.05
IUPAC Name1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
SMILESCOc1cc(CNCc2ccco2)ccc1OCc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C20H19Cl2NO3.ClH/c1-24-20-9-14(11-23-12-17-3-2-8-25-17)4-7-19(20)26-13-15-5-6-16(21)10-18(15)22;/h2-10,23H,11-13H2,1H3;1H
InChIKeyMGVOKGQMIXKQGF-UHFFFAOYSA-N
XLogP5.89
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.74
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 4723130
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331634
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 4723938
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17291681
2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride
CID 17213191
N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine
CID 29225923
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209578
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-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride
CID 17331689
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294671
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine
CID 4723186

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride (CID 17331636) is 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride is COc1cc(CNCc2ccco2)ccc1OCc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is MGVOKGQMIXKQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO3.ClH/c1-24-20-9-14(11-23-12-17-3-2-8-25-17)4-7-19(20)26-13-15-5-6-16(21)10-18(15)22;/h2-10,23H,11-13H2,1H3;1H.
What are the key properties of 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride?
1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 428.74 g/mol, XLogP of 5.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 17331636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).