(1R)-1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine

C14H16BrNO — CID 114985843

IUPAC(1R)-1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccoc1CN[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrNO/c1-10-7-8-17-14(10)9-16-11(2)12-3-5-13(15)6-4-12/h3-8,11,16H,9H2,1-2H3/t11-/m1/s1
InChIKeyVRKIXLLTYVPJKL-LLVKDONJSA-N
MW294.19 g/mol
LogP4.20
Rot. Bonds4

About (1R)-1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine

(1R)-1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine (PubChem CID 114985843) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine
PubChem CID114985843
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name(1R)-1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccoc1CN[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrNO/c1-10-7-8-17-14(10)9-16-11(2)12-3-5-13(15)6-4-12/h3-8,11,16H,9H2,1-2H3/t11-/m1/s1
InChIKeyVRKIXLLTYVPJKL-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-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 113488659
(1R)-N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 114986470
N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 115651338
1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]propan-2-amine
CID 115652236
(1S)-1-(4-bromophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81360176
1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663960
2-[(3-methylfuran-2-yl)methylamino]propan-1-ol
CID 115656397
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 81355163
1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 60658197
3-[[1-(4-bromophenyl)ethylamino]methyl]furan-2-carboxylic acid
CID 103245714
2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 115651392

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine (CID 114985843) is (1R)-1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine is Cc1ccoc1CN[C@H](C)c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is VRKIXLLTYVPJKL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-10-7-8-17-14(10)9-16-11(2)12-3-5-13(15)6-4-12/h3-8,11,16H,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine?
(1R)-1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]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)-1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 114985843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).