(1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine

C15H18BrNO — CID 81372648

IUPAC(1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine
SMILESCCc1ccc(CN[C@H](C)c2cccc(Br)c2)o1
InChIInChI=1S/C15H18BrNO/c1-3-14-7-8-15(18-14)10-17-11(2)12-5-4-6-13(16)9-12/h4-9,11,17H,3,10H2,1-2H3/t11-/m1/s1
InChIKeyKPTCYKBZQIMWBJ-LLVKDONJSA-N
MW308.22 g/mol
LogP4.46
Rot. Bonds5

About (1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine

(1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine (PubChem CID 81372648) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine
PubChem CID81372648
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name(1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine
SMILESCCc1ccc(CN[C@H](C)c2cccc(Br)c2)o1
InChIInChI=1S/C15H18BrNO/c1-3-14-7-8-15(18-14)10-17-11(2)12-5-4-6-13(16)9-12/h4-9,11,17H,3,10H2,1-2H3/t11-/m1/s1
InChIKeyKPTCYKBZQIMWBJ-LLVKDONJSA-N
XLogP4.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 43779085
1-(3-bromophenyl)-N-[(5-iodofuran-2-yl)methyl]ethanamine
CID 43779045
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682704
(1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 81382162
[5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol
CID 81364609
(1R)-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 29187702
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 17056405
N-[1-(3-bromophenyl)ethyl]butan-1-amine
CID 43192396
(1R)-1-(3-bromophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81371674
N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 55081693
4-[[[(1R)-1-(3-bromophenyl)ethyl]amino]methyl]phenol
CID 81381238
(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine
CID 102836741

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine (CID 81372648) is (1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine is CCc1ccc(CN[C@H](C)c2cccc(Br)c2)o1.
What is the InChIKey of (1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine?
The InChIKey is KPTCYKBZQIMWBJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-3-14-7-8-15(18-14)10-17-11(2)12-5-4-6-13(16)9-12/h4-9,11,17H,3,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine?
(1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine has a molecular weight of 308.22 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 81372648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).