(3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine

C14H16BrNO — CID 81472297

IUPAC(3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine
SMILESCCc1ccc(C(N)c2ccc(C)c(Br)c2)o1
InChIInChI=1S/C14H16BrNO/c1-3-11-6-7-13(17-11)14(16)10-5-4-9(2)12(15)8-10/h4-8,14H,3,16H2,1-2H3
InChIKeyCPKGAVZSUQBYQL-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.96
Rot. Bonds3

About (3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine

(3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine (PubChem CID 81472297) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine
PubChem CID81472297
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name(3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine
SMILESCCc1ccc(C(N)c2ccc(C)c(Br)c2)o1
InChIInChI=1S/C14H16BrNO/c1-3-11-6-7-13(17-11)14(16)10-5-4-9(2)12(15)8-10/h4-8,14H,3,16H2,1-2H3
InChIKeyCPKGAVZSUQBYQL-UHFFFAOYSA-N
XLogP3.96
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 62344613
(4-bromo-3-chlorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 81290852
(3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
CID 107979824
(5-ethylfuran-2-yl)-(5-methylfuran-3-yl)methanamine
CID 114820210
(2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
CID 79095600
(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine
CID 102827978
(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine
CID 81472586
(3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 81472595
(2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 62345677
(5-ethylfuran-2-yl)-(3-methoxyphenyl)methanamine
CID 55061699
[2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine
CID 79094081
5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 79095790

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine?
The IUPAC name of (3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine (CID 81472297) is (3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine?
The canonical SMILES for (3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine is CCc1ccc(C(N)c2ccc(C)c(Br)c2)o1.
What is the InChIKey of (3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine?
The InChIKey is CPKGAVZSUQBYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-3-11-6-7-13(17-11)14(16)10-5-4-9(2)12(15)8-10/h4-8,14H,3,16H2,1-2H3.
What are the key properties of (3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine?
(3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine has a molecular weight of 294.19 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine is sourced from PubChem (CID 81472297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).