(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine

C14H17NO2 — CID 81402590

IUPAC(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CN[C@@H](C)c2ccco2)c1
InChIInChI=1S/C14H17NO2/c1-11(14-7-4-8-17-14)15-10-12-5-3-6-13(9-12)16-2/h3-9,11,15H,10H2,1-2H3/t11-/m0/s1
InChIKeyMCCKGBSLDWMKMB-NSHDSACASA-N
MW231.30 g/mol
LogP3.14
Rot. Bonds5

About (1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine

(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine (PubChem CID 81402590) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
PubChem CID81402590
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CN[C@@H](C)c2ccco2)c1
InChIInChI=1S/C14H17NO2/c1-11(14-7-4-8-17-14)15-10-12-5-3-6-13(9-12)16-2/h3-9,11,15H,10H2,1-2H3/t11-/m0/s1
InChIKeyMCCKGBSLDWMKMB-NSHDSACASA-N
XLogP3.14
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402683
(1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81403687
[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809
1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181990
N-[1-(furan-2-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62557270
N-[1-(furan-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18116881
(1S)-1-(furan-2-yl)-N-[(3-methoxy-5-nitrophenyl)methyl]ethanamine
CID 81401088
N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43400255
(1R)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81400902
(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402570
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol
CID 81402939

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine (CID 81402590) is (1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine is COc1cccc(CN[C@@H](C)c2ccco2)c1.
What is the InChIKey of (1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is MCCKGBSLDWMKMB-NSHDSACASA-N. The full InChI is InChI=1S/C14H17NO2/c1-11(14-7-4-8-17-14)15-10-12-5-3-6-13(9-12)16-2/h3-9,11,15H,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine?
(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81402590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).