(1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine

C14H16BrNO — CID 106885424

IUPAC(1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@@H](C)NCc2occc2Br)c1
InChIInChI=1S/C14H16BrNO/c1-10-4-3-5-12(8-10)11(2)16-9-14-13(15)6-7-17-14/h3-8,11,16H,9H2,1-2H3/t11-/m1/s1
InChIKeyBWZMBSSFYQEPDL-LLVKDONJSA-N
MW294.19 g/mol
LogP4.20
Rot. Bonds4

About (1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine

(1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 106885424) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is (1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
PubChem CID106885424
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name(1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@@H](C)NCc2occc2Br)c1
InChIInChI=1S/C14H16BrNO/c1-10-4-3-5-12(8-10)11(2)16-9-14-13(15)6-7-17-14/h3-8,11,16H,9H2,1-2H3/t11-/m1/s1
InChIKeyBWZMBSSFYQEPDL-LLVKDONJSA-N
XLogP4.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363977
(1R)-N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369208
[1-(3-methylphenyl)ethylamino]methanolate
CID 163854725
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81360440
(1R)-N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 114986470
N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 115651338
N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 55081693
(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81363211
(1R)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364360
(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81361545
(1R)-N-[(5-bromo-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364243
(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363727

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine (CID 106885424) is (1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine is Cc1cccc([C@@H](C)NCc2occc2Br)c1.
What is the InChIKey of (1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is BWZMBSSFYQEPDL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-10-4-3-5-12(8-10)11(2)16-9-14-13(15)6-7-17-14/h3-8,11,16H,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine?
(1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine has a molecular weight of 294.19 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 106885424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).