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

C19H19Cl2NO2 — CID 17331629

IUPAC1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
SMILESCl.Clc1ccc(COc2ccccc2CNCc2ccco2)cc1
InChIInChI=1S/C19H18ClNO2.ClH/c20-17-9-7-15(8-10-17)14-23-19-6-2-1-4-16(19)12-21-13-18-5-3-11-22-18;/h1-11,21H,12-14H2;1H
InChIKeyKMHIMMLMLGRTBE-UHFFFAOYSA-N
MW364.27 g/mol
LogP5.22
Rot. Bonds7

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

1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride (PubChem CID 17331629) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
PubChem CID17331629
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
SMILESCl.Clc1ccc(COc2ccccc2CNCc2ccco2)cc1
InChIInChI=1S/C19H18ClNO2.ClH/c20-17-9-7-15(8-10-17)14-23-19-6-2-1-4-16(19)12-21-13-18-5-3-11-22-18;/h1-11,21H,12-14H2;1H
InChIKeyKMHIMMLMLGRTBE-UHFFFAOYSA-N
XLogP5.22
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.27
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride
CID 17331689
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721375
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine
CID 2993502
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17207976
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331634
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine
CID 4723186
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332421
1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 795886
N-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine
CID 54797970
2-(4-chlorophenyl)-N-[(2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208380
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 4718122
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716575

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride (CID 17331629) is 1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride is Cl.Clc1ccc(COc2ccccc2CNCc2ccco2)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is KMHIMMLMLGRTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2.ClH/c20-17-9-7-15(8-10-17)14-23-19-6-2-1-4-16(19)12-21-13-18-5-3-11-22-18;/h1-11,21H,12-14H2;1H.
What are the key properties of 1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride?
1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 364.27 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 17331629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).