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

C15H19NO2 — CID 81402683

IUPAC(1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
SMILESCCOc1cccc(CN[C@@H](C)c2ccco2)c1
InChIInChI=1S/C15H19NO2/c1-3-17-14-7-4-6-13(10-14)11-16-12(2)15-8-5-9-18-15/h4-10,12,16H,3,11H2,1-2H3/t12-/m0/s1
InChIKeyMOOVDHQJCDPYMJ-LBPRGKRZSA-N
MW245.32 g/mol
LogP3.53
Rot. Bonds6

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

(1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine (PubChem CID 81402683) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
PubChem CID81402683
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
SMILESCCOc1cccc(CN[C@@H](C)c2ccco2)c1
InChIInChI=1S/C15H19NO2/c1-3-17-14-7-4-6-13(10-14)11-16-12(2)15-8-5-9-18-15/h4-10,12,16H,3,11H2,1-2H3/t12-/m0/s1
InChIKeyMOOVDHQJCDPYMJ-LBPRGKRZSA-N
XLogP3.53
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81403687
(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81402590
[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809
1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181990
2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol
CID 81403520
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348754
5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 107706023
(1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 81382438
1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 70118034
N-[(3-ethoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893548
3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile
CID 43401833

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of (1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine (CID 81402683) is (1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for (1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine is CCOc1cccc(CN[C@@H](C)c2ccco2)c1.
What is the InChIKey of (1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine?
The InChIKey is MOOVDHQJCDPYMJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-17-14-7-4-6-13(10-14)11-16-12(2)15-8-5-9-18-15/h4-10,12,16H,3,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine?
(1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine has a molecular weight of 245.32 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 81402683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).