N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methylphenyl)ethanamine

C15H18BrNO — CID 104652135

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(C)NC(C)c1ccc(Br)o1
InChIInChI=1S/C15H18BrNO/c1-10-6-4-5-7-13(10)11(2)17-12(3)14-8-9-15(16)18-14/h4-9,11-12,17H,1-3H3
InChIKeyKUHKBDDEUHXRRP-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.76
Rot. Bonds4

About N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methylphenyl)ethanamine

N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methylphenyl)ethanamine (PubChem CID 104652135) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
PubChem CID104652135
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(C)NC(C)c1ccc(Br)o1
InChIInChI=1S/C15H18BrNO/c1-10-6-4-5-7-13(10)11(2)17-12(3)14-8-9-15(16)18-14/h4-9,11-12,17H,1-3H3
InChIKeyKUHKBDDEUHXRRP-UHFFFAOYSA-N
XLogP4.76
TPSA25.17 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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine
CID 113437463
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
(5-bromofuran-2-yl)-(2-methylphenyl)methanol
CID 63895016
1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
CID 81373795
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373945
1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81375703
(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81375681
1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 43203219
(1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81382647
(1R)-N-[1-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373592
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 104652788

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methylphenyl)ethanamine (CID 104652135) is N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(C)NC(C)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is KUHKBDDEUHXRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-10-6-4-5-7-13(10)11(2)17-12(3)14-8-9-15(16)18-14/h4-9,11-12,17H,1-3H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methylphenyl)ethanamine?
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 308.22 g/mol, XLogP of 4.76, 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]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 104652135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).