2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine

C14H18BrNO — CID 102651241

IUPAC2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cc1)C1=CCCO1
InChIInChI=1S/C14H18BrNO/c1-2-16-13(14-4-3-9-17-14)10-11-5-7-12(15)8-6-11/h4-8,13,16H,2-3,9-10H2,1H3
InChIKeyMJDGMUNOOVWQFJ-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.27
Rot. Bonds5

About 2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine

2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine (PubChem CID 102651241) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine
PubChem CID102651241
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cc1)C1=CCCO1
InChIInChI=1S/C14H18BrNO/c1-2-16-13(14-4-3-9-17-14)10-11-5-7-12(15)8-6-11/h4-8,13,16H,2-3,9-10H2,1H3
InChIKeyMJDGMUNOOVWQFJ-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 102653265
2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanamine
CID 102651201
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 102651729
1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine
CID 102653271
1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-ethylethanamine
CID 61064969
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine
CID 102653276
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 102653662
1-(3-bromofuran-2-yl)-2-(4-bromophenyl)-N-ethylethanamine
CID 63941856
N-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine
CID 102651437
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 102653664
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 102653222
2-(4-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60820542

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine (CID 102651241) is 2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine is CCNC(Cc1ccc(Br)cc1)C1=CCCO1.
What is the InChIKey of 2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine?
The InChIKey is MJDGMUNOOVWQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-2-16-13(14-4-3-9-17-14)10-11-5-7-12(15)8-6-11/h4-8,13,16H,2-3,9-10H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine?
2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine has a molecular weight of 296.21 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine is sourced from PubChem (CID 102651241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).