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

C20H21Cl2NO3 — CID 17331634

IUPAC1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
SMILESCOc1cc(CNCc2ccco2)ccc1OCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C20H20ClNO3.ClH/c1-23-20-11-16(12-22-13-18-3-2-10-24-18)6-9-19(20)25-14-15-4-7-17(21)8-5-15;/h2-11,22H,12-14H2,1H3;1H
InChIKeySHVLYVHGRHJQLW-UHFFFAOYSA-N
MW394.30 g/mol
LogP5.23
Rot. Bonds8

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

1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride (PubChem CID 17331634) has the molecular formula C20H21Cl2NO3 and a molecular weight of 394.30 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
PubChem CID17331634
Molecular FormulaC20H21Cl2NO3
Molecular Weight394.30 g/mol
Exact Mass393.09
IUPAC Name1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
SMILESCOc1cc(CNCc2ccco2)ccc1OCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C20H20ClNO3.ClH/c1-23-20-11-16(12-22-13-18-3-2-10-24-18)6-9-19(20)25-14-15-4-7-17(21)8-5-15;/h2-11,22H,12-14H2,1H3;1H
InChIKeySHVLYVHGRHJQLW-UHFFFAOYSA-N
XLogP5.23
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.30
LogP ≤ 55.23
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;hydrochloride
CID 17331636
1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 4723130
2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride
CID 17213191
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride
CID 17331689
N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine
CID 29225923
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17292580
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290314
1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331629
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine
CID 2993502
N-(furan-2-ylmethyl)-1-(4-methoxy-3-propoxyphenyl)methanamine
CID 39374430
1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid
CID 171155021
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17289851

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride (CID 17331634) is 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride is COc1cc(CNCc2ccco2)ccc1OCc1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is SHVLYVHGRHJQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3.ClH/c1-23-20-11-16(12-22-13-18-3-2-10-24-18)6-9-19(20)25-14-15-4-7-17(21)8-5-15;/h2-11,22H,12-14H2,1H3;1H.
What are the key properties of 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride?
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 394.30 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 17331634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).