1-(5-bromofuran-2-yl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]ethanamine

C15H17BrFNO — CID 104653123

IUPAC1-(5-bromofuran-2-yl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]ethanamine
SMILESCc1cc(F)ccc1CCNC(C)c1ccc(Br)o1
InChIInChI=1S/C15H17BrFNO/c1-10-9-13(17)4-3-12(10)7-8-18-11(2)14-5-6-15(16)19-14/h3-6,9,11,18H,7-8H2,1-2H3
InChIKeyRRFAOBGNNJYDQA-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.38
Rot. Bonds5

About 1-(5-bromofuran-2-yl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]ethanamine

1-(5-bromofuran-2-yl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]ethanamine (PubChem CID 104653123) has the molecular formula C15H17BrFNO and a molecular weight of 326.21 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]ethanamine
PubChem CID104653123
Molecular FormulaC15H17BrFNO
Molecular Weight326.21 g/mol
Exact Mass325.05
IUPAC Name1-(5-bromofuran-2-yl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]ethanamine
SMILESCc1cc(F)ccc1CCNC(C)c1ccc(Br)o1
InChIInChI=1S/C15H17BrFNO/c1-10-9-13(17)4-3-12(10)7-8-18-11(2)14-5-6-15(16)19-14/h3-6,9,11,18H,7-8H2,1-2H3
InChIKeyRRFAOBGNNJYDQA-UHFFFAOYSA-N
XLogP4.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051069
2-[1-[2-(4-fluoro-2-methylphenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107711088
2-(4-fluoro-2-methylphenyl)ethylhydrazine
CID 105220815
1-(5-bromofuran-2-yl)-N-(2-quinolin-8-ylethyl)ethanamine
CID 104653173
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline
CID 104652219
N'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine
CID 104652736
N-[1-(5-bromofuran-2-yl)ethyl]but-3-yn-1-amine
CID 104653023
N-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 113437435
1-(5-bromofuran-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 104653041
N-[1-(5-bromofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 104651972
1-(2-bromoethyl)-4-fluoro-2-methylbenzene
CID 62802439
N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline
CID 104653096

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]ethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]ethanamine (CID 104653123) is 1-(5-bromofuran-2-yl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]ethanamine is Cc1cc(F)ccc1CCNC(C)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]ethanamine?
The InChIKey is RRFAOBGNNJYDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO/c1-10-9-13(17)4-3-12(10)7-8-18-11(2)14-5-6-15(16)19-14/h3-6,9,11,18H,7-8H2,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]ethanamine?
1-(5-bromofuran-2-yl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]ethanamine has a molecular weight of 326.21 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 104653123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).