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

C19H17Cl2NO2 — CID 4723186

IUPACN-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine
SMILESClc1ccc(OCc2ccccc2Cl)c(CNCc2ccco2)c1
InChIInChI=1S/C19H17Cl2NO2/c20-16-7-8-19(24-13-14-4-1-2-6-18(14)21)15(10-16)11-22-12-17-5-3-9-23-17/h1-10,22H,11-13H2
InChIKeyZZNNFNPFLHNVBF-UHFFFAOYSA-N
MW362.26 g/mol
LogP5.46
Rot. Bonds7

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

N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine (PubChem CID 4723186) has the molecular formula C19H17Cl2NO2 and a molecular weight of 362.26 g/mol. Its IUPAC name is N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine
PubChem CID4723186
Molecular FormulaC19H17Cl2NO2
Molecular Weight362.26 g/mol
Exact Mass361.06
IUPAC NameN-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine
SMILESClc1ccc(OCc2ccccc2Cl)c(CNCc2ccco2)c1
InChIInChI=1S/C19H17Cl2NO2/c20-16-7-8-19(24-13-14-4-1-2-6-18(14)21)15(10-16)11-22-12-17-5-3-9-23-17/h1-10,22H,11-13H2
InChIKeyZZNNFNPFLHNVBF-UHFFFAOYSA-N
XLogP5.46
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.26
LogP ≤ 55.46
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-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine
CID 4715702
N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 94074408
1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331629
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290924
1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331643
1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 4723130
1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331636
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721823
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17293135
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride
CID 17291027
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 17289311

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine (CID 4723186) is N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine is Clc1ccc(OCc2ccccc2Cl)c(CNCc2ccco2)c1.
What is the InChIKey of N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine?
The InChIKey is ZZNNFNPFLHNVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO2/c20-16-7-8-19(24-13-14-4-1-2-6-18(14)21)15(10-16)11-22-12-17-5-3-9-23-17/h1-10,22H,11-13H2.
What are the key properties of N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine?
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine has a molecular weight of 362.26 g/mol, XLogP of 5.46, 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-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 4723186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).