1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine

C16H20BrNO — CID 43673332

IUPAC1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine
SMILESCc1cc(C(C)NC(C)c2cccc(Br)c2)c(C)o1
InChIInChI=1S/C16H20BrNO/c1-10-8-16(13(4)19-10)12(3)18-11(2)14-6-5-7-15(17)9-14/h5-9,11-12,18H,1-4H3
InChIKeyIQBPPKKDXFPJFB-UHFFFAOYSA-N
MW322.25 g/mol
LogP5.07
Rot. Bonds4

About 1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine

1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine (PubChem CID 43673332) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine
PubChem CID43673332
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine
SMILESCc1cc(C(C)NC(C)c2cccc(Br)c2)c(C)o1
InChIInChI=1S/C16H20BrNO/c1-10-8-16(13(4)19-10)12(3)18-11(2)14-6-5-7-15(17)9-14/h5-9,11-12,18H,1-4H3
InChIKeyIQBPPKKDXFPJFB-UHFFFAOYSA-N
XLogP5.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.25
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 43203219
(1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81382647
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81407144
2-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]ethyl]phenol
CID 81381845
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43121349
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373945
(1S)-1-(3-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81381049
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-bromophenyl)ethanamine
CID 82963517
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81381061
N-[(1R)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81382148
5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107706398
1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine
CID 107167357

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine (CID 43673332) is 1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine is Cc1cc(C(C)NC(C)c2cccc(Br)c2)c(C)o1.
What is the InChIKey of 1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine?
The InChIKey is IQBPPKKDXFPJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-10-8-16(13(4)19-10)12(3)18-11(2)14-6-5-7-15(17)9-14/h5-9,11-12,18H,1-4H3.
What are the key properties of 1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine?
1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine has a molecular weight of 322.25 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine is sourced from PubChem (CID 43673332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).