N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride

C19H18Cl3NO2 — CID 17331689

IUPACN-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride
SMILESCl.Clc1ccc(COc2ccc(Cl)cc2CNCc2ccco2)cc1
InChIInChI=1S/C19H17Cl2NO2.ClH/c20-16-5-3-14(4-6-16)13-24-19-8-7-17(21)10-15(19)11-22-12-18-2-1-9-23-18;/h1-10,22H,11-13H2;1H
InChIKeyVFIIIAKROZBLRU-UHFFFAOYSA-N
MW398.72 g/mol
LogP5.88
Rot. Bonds7

About N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride

N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride (PubChem CID 17331689) has the molecular formula C19H18Cl3NO2 and a molecular weight of 398.72 g/mol. Its IUPAC name is N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride
PubChem CID17331689
Molecular FormulaC19H18Cl3NO2
Molecular Weight398.72 g/mol
Exact Mass397.04
IUPAC NameN-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride
SMILESCl.Clc1ccc(COc2ccc(Cl)cc2CNCc2ccco2)cc1
InChIInChI=1S/C19H17Cl2NO2.ClH/c20-16-5-3-14(4-6-16)13-24-19-8-7-17(21)10-15(19)11-22-12-18-2-1-9-23-18;/h1-10,22H,11-13H2;1H
InChIKeyVFIIIAKROZBLRU-UHFFFAOYSA-N
XLogP5.88
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.72
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331629
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine
CID 4723186
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331634
N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 94074408
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine
CID 2993502
1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331636
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17291748
1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 4723130
N-[(2-bromo-5-chlorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 66160828
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 17290374
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055704
N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
CID 63500792

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride?
The IUPAC name of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride (CID 17331689) is N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride?
The canonical SMILES for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride is Cl.Clc1ccc(COc2ccc(Cl)cc2CNCc2ccco2)cc1.
What is the InChIKey of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride?
The InChIKey is VFIIIAKROZBLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO2.ClH/c20-16-5-3-14(4-6-16)13-24-19-8-7-17(21)10-15(19)11-22-12-18-2-1-9-23-18;/h1-10,22H,11-13H2;1H.
What are the key properties of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride?
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride has a molecular weight of 398.72 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 17331689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).