N-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline

C14H16BrNO — CID 113437452

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline
SMILESCCc1ccc(NC(C)c2ccc(Br)o2)cc1
InChIInChI=1S/C14H16BrNO/c1-3-11-4-6-12(7-5-11)16-10(2)13-8-9-14(15)17-13/h4-10,16H,3H2,1-2H3
InChIKeyPZVUOQMRVCZWPI-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.78
Rot. Bonds4

About N-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline

N-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline (PubChem CID 113437452) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline
PubChem CID113437452
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline
SMILESCCc1ccc(NC(C)c2ccc(Br)o2)cc1
InChIInChI=1S/C14H16BrNO/c1-3-11-4-6-12(7-5-11)16-10(2)13-8-9-14(15)17-13/h4-10,16H,3H2,1-2H3
InChIKeyPZVUOQMRVCZWPI-UHFFFAOYSA-N
XLogP4.78
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline
CID 104652692
N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline
CID 104652071
4-[1-(5-bromofuran-2-yl)ethylamino]phenol
CID 104652665
4-[1-(5-bromofuran-2-yl)ethylamino]benzonitrile
CID 104652084
N-[1-(5-bromofuran-2-yl)ethyl]-6-ethoxypyridin-3-amine
CID 104653126
2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide
CID 104652472
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-4-methylaniline
CID 104651996
N-[1-(5-bromofuran-2-yl)ethyl]-4-cyclopentylsulfanylaniline
CID 104652562
N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline
CID 104653096
N-[1-(5-bromofuran-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)aniline
CID 104652755
N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-4-methoxyaniline
CID 104652255
N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43223765

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline (CID 113437452) is N-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline is CCc1ccc(NC(C)c2ccc(Br)o2)cc1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline?
The InChIKey is PZVUOQMRVCZWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-3-11-4-6-12(7-5-11)16-10(2)13-8-9-14(15)17-13/h4-10,16H,3H2,1-2H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline?
N-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline has a molecular weight of 294.19 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline is sourced from PubChem (CID 113437452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).