1-(3-chlorophenyl)-N-[(3-chlorophenyl)-(furan-2-yl)methyl]-1-(furan-2-yl)methanamine;hydrochloride

C22H18Cl3NO2 — CID 22761746

IUPAC1-(3-chlorophenyl)-N-[(3-chlorophenyl)-(furan-2-yl)methyl]-1-(furan-2-yl)methanamine;hydrochloride
SMILESCl.Clc1cccc(C(NC(c2cccc(Cl)c2)c2ccco2)c2ccco2)c1
InChIInChI=1S/C22H17Cl2NO2.ClH/c23-17-7-1-5-15(13-17)21(19-9-3-11-26-19)25-22(20-10-4-12-27-20)16-6-2-8-18(24)14-16;/h1-14,21-22,25H;1H
InChIKeyNKDCTGZSUZJERA-UHFFFAOYSA-N
MW434.75 g/mol
LogP7.07
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[(3-chlorophenyl)-(furan-2-yl)methyl]-1-(furan-2-yl)methanamine;hydrochloride

1-(3-chlorophenyl)-N-[(3-chlorophenyl)-(furan-2-yl)methyl]-1-(furan-2-yl)methanamine;hydrochloride (PubChem CID 22761746) has the molecular formula C22H18Cl3NO2 and a molecular weight of 434.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(3-chlorophenyl)-(furan-2-yl)methyl]-1-(furan-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(3-chlorophenyl)-(furan-2-yl)methyl]-1-(furan-2-yl)methanamine;hydrochloride
PubChem CID22761746
Molecular FormulaC22H18Cl3NO2
Molecular Weight434.75 g/mol
Exact Mass433.04
IUPAC Name1-(3-chlorophenyl)-N-[(3-chlorophenyl)-(furan-2-yl)methyl]-1-(furan-2-yl)methanamine;hydrochloride
SMILESCl.Clc1cccc(C(NC(c2cccc(Cl)c2)c2ccco2)c2ccco2)c1
InChIInChI=1S/C22H17Cl2NO2.ClH/c23-17-7-1-5-15(13-17)21(19-9-3-11-26-19)25-22(20-10-4-12-27-20)16-6-2-8-18(24)14-16;/h1-14,21-22,25H;1H
InChIKeyNKDCTGZSUZJERA-UHFFFAOYSA-N
XLogP7.07
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.75
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81366262
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CID 8756618
(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(R)-furan-2-yl(phenyl)methyl]ethanamine
CID 8756620
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755824
2-bromo-4-chloro-N-[furan-2-yl(phenyl)methyl]aniline
CID 81251674
N-[2-(3-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756406
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
(3-chlorophenyl)methanediol
CID 20679602
N-[1-(3-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43105060
1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857070
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
(2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 166838557

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(3-chlorophenyl)-(furan-2-yl)methyl]-1-(furan-2-yl)methanamine;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-N-[(3-chlorophenyl)-(furan-2-yl)methyl]-1-(furan-2-yl)methanamine;hydrochloride (CID 22761746) is 1-(3-chlorophenyl)-N-[(3-chlorophenyl)-(furan-2-yl)methyl]-1-(furan-2-yl)methanamine;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(3-chlorophenyl)-(furan-2-yl)methyl]-1-(furan-2-yl)methanamine;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(3-chlorophenyl)-(furan-2-yl)methyl]-1-(furan-2-yl)methanamine;hydrochloride is Cl.Clc1cccc(C(NC(c2cccc(Cl)c2)c2ccco2)c2ccco2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(3-chlorophenyl)-(furan-2-yl)methyl]-1-(furan-2-yl)methanamine;hydrochloride?
The InChIKey is NKDCTGZSUZJERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO2.ClH/c23-17-7-1-5-15(13-17)21(19-9-3-11-26-19)25-22(20-10-4-12-27-20)16-6-2-8-18(24)14-16;/h1-14,21-22,25H;1H.
What are the key properties of 1-(3-chlorophenyl)-N-[(3-chlorophenyl)-(furan-2-yl)methyl]-1-(furan-2-yl)methanamine;hydrochloride?
1-(3-chlorophenyl)-N-[(3-chlorophenyl)-(furan-2-yl)methyl]-1-(furan-2-yl)methanamine;hydrochloride has a molecular weight of 434.75 g/mol, XLogP of 7.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(3-chlorophenyl)-(furan-2-yl)methyl]-1-(furan-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 22761746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).