(2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine

C15H18BrNO — CID 106851922

IUPAC(2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine
SMILESCCc1ccc(C(N)c2ccoc2Br)cc1CC
InChIInChI=1S/C15H18BrNO/c1-3-10-5-6-12(9-11(10)4-2)14(17)13-7-8-18-15(13)16/h5-9,14H,3-4,17H2,1-2H3
InChIKeyFLRDLFWXRZBOTF-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.22
Rot. Bonds4

About (2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine

(2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine (PubChem CID 106851922) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine
PubChem CID106851922
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name(2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine
SMILESCCc1ccc(C(N)c2ccoc2Br)cc1CC
InChIInChI=1S/C15H18BrNO/c1-3-10-5-6-12(9-11(10)4-2)14(17)13-7-8-18-15(13)16/h5-9,14H,3-4,17H2,1-2H3
InChIKeyFLRDLFWXRZBOTF-UHFFFAOYSA-N
XLogP4.22
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine
CID 106851925
(2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine
CID 115482082
(2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine
CID 106851486
(2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine
CID 106851764
1-(2-bromofuran-3-yl)propan-1-amine
CID 103846080
(3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine
CID 115482034
(3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine
CID 107950848
(3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine
CID 115481980
(3,4-diethylphenyl)-(4-methoxyphenyl)methanamine
CID 115481951
(2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 106851480
(3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 115481937
(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine
CID 106851517

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine?
The IUPAC name of (2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine (CID 106851922) is (2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine.
What is the SMILES notation for (2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine?
The canonical SMILES for (2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine is CCc1ccc(C(N)c2ccoc2Br)cc1CC.
What is the InChIKey of (2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine?
The InChIKey is FLRDLFWXRZBOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-3-10-5-6-12(9-11(10)4-2)14(17)13-7-8-18-15(13)16/h5-9,14H,3-4,17H2,1-2H3.
What are the key properties of (2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine?
(2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine has a molecular weight of 308.22 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine is sourced from PubChem (CID 106851922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).