N'-[1-(3-bromophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine

C16H21BrN2O — CID 43202354

IUPACN'-[1-(3-bromophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCC(NCC(c1ccco1)N(C)C)c1cccc(Br)c1
InChIInChI=1S/C16H21BrN2O/c1-12(13-6-4-7-14(17)10-13)18-11-15(19(2)3)16-8-5-9-20-16/h4-10,12,15,18H,11H2,1-3H3
InChIKeyZERMYASWWNXFAZ-UHFFFAOYSA-N
MW337.26 g/mol
LogP4.00
Rot. Bonds6

About N'-[1-(3-bromophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine

N'-[1-(3-bromophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 43202354) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is N'-[1-(3-bromophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(3-bromophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID43202354
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC NameN'-[1-(3-bromophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCC(NCC(c1ccco1)N(C)C)c1cccc(Br)c1
InChIInChI=1S/C16H21BrN2O/c1-12(13-6-4-7-14(17)10-13)18-11-15(19(2)3)16-8-5-9-20-16/h4-10,12,15,18H,11H2,1-3H3
InChIKeyZERMYASWWNXFAZ-UHFFFAOYSA-N
XLogP4.00
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[1-(3-fluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43202397
1-(furan-2-yl)-N'-[1-(3-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202378
1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol
CID 54938857
N'-[1-(3-bromophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43094623
1-(furan-2-yl)-N'-[1-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202375
N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43201793
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
N'-[1-(2,5-dichlorothiophen-3-yl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 103775834
N'-[1-(2,4-dichlorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43093421
N'-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43202391
1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360536

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-bromophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-[1-(3-bromophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (CID 43202354) is N'-[1-(3-bromophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(3-bromophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[1-(3-bromophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is CC(NCC(c1ccco1)N(C)C)c1cccc(Br)c1.
What is the InChIKey of N'-[1-(3-bromophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is ZERMYASWWNXFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-12(13-6-4-7-14(17)10-13)18-11-15(19(2)3)16-8-5-9-20-16/h4-10,12,15,18H,11H2,1-3H3.
What are the key properties of N'-[1-(3-bromophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
N'-[1-(3-bromophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 337.26 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-bromophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 43202354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).