(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine

C17H23NO — CID 81373945

IUPAC(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine
SMILESCc1cc(C(C)N[C@H](C)c2ccccc2C)c(C)o1
InChIInChI=1S/C17H23NO/c1-11-8-6-7-9-16(11)13(3)18-14(4)17-10-12(2)19-15(17)5/h6-10,13-14,18H,1-5H3/t13-,14?/m1/s1
InChIKeyUYINZHUKWKVIJW-KWCCSABGSA-N
MW257.38 g/mol
LogP4.62
Rot. Bonds4

About (1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine

(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine (PubChem CID 81373945) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine
PubChem CID81373945
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine
SMILESCc1cc(C(C)N[C@H](C)c2ccccc2C)c(C)o1
InChIInChI=1S/C17H23NO/c1-11-8-6-7-9-16(11)13(3)18-14(4)17-10-12(2)19-15(17)5/h6-10,13-14,18H,1-5H3/t13-,14?/m1/s1
InChIKeyUYINZHUKWKVIJW-KWCCSABGSA-N
XLogP4.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60927070
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 60944672
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-2-ylethanamine
CID 43121364
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43121349
1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine
CID 43673332
(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol
CID 107093791
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81407144
5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107706398
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 104652135
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62091070
(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81375681
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine (CID 81373945) is (1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine is Cc1cc(C(C)N[C@H](C)c2ccccc2C)c(C)o1.
What is the InChIKey of (1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is UYINZHUKWKVIJW-KWCCSABGSA-N. The full InChI is InChI=1S/C17H23NO/c1-11-8-6-7-9-16(11)13(3)18-14(4)17-10-12(2)19-15(17)5/h6-10,13-14,18H,1-5H3/t13-,14?/m1/s1.
What are the key properties of (1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine?
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 81373945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).