N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine

C17H20BrNO — CID 105045025

IUPACN-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)c1ccc(Br)o1
InChIInChI=1S/C17H20BrNO/c1-2-19-17(15-10-11-16(18)20-15)14-8-6-13(7-9-14)12-4-3-5-12/h6-12,17,19H,2-5H2,1H3
InChIKeyWQHLEJGTVJWSRE-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.01
Rot. Bonds5

About N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine

N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine (PubChem CID 105045025) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine
PubChem CID105045025
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)c1ccc(Br)o1
InChIInChI=1S/C17H20BrNO/c1-2-19-17(15-10-11-16(18)20-15)14-8-6-13(7-9-14)12-4-3-5-12/h6-12,17,19H,2-5H2,1H3
InChIKeyWQHLEJGTVJWSRE-UHFFFAOYSA-N
XLogP5.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine
CID 81291306
N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923880
N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine
CID 116506465
N-[(4-cyclobutylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 105044981
N-[(5-bromofuran-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491302
N-[(5-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854954
N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine
CID 116506363
N-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine
CID 106693362
N-[(4-cyclobutylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 116506103
N-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 105044884
N-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 43489829
N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine
CID 103444478

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine (CID 105045025) is N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine is CCNC(c1ccc(C2CCC2)cc1)c1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine?
The InChIKey is WQHLEJGTVJWSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-2-19-17(15-10-11-16(18)20-15)14-8-6-13(7-9-14)12-4-3-5-12/h6-12,17,19H,2-5H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine?
N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine has a molecular weight of 334.26 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine is sourced from PubChem (CID 105045025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).