2-(3-ethoxy-2-phenylmethoxyphenyl)-1-(furan-2-yl)ethanamine

C21H23NO3 — CID 21157760

IUPAC2-(3-ethoxy-2-phenylmethoxyphenyl)-1-(furan-2-yl)ethanamine
SMILESCCOc1cccc(CC(N)c2ccco2)c1OCc1ccccc1
InChIInChI=1S/C21H23NO3/c1-2-23-20-11-6-10-17(14-18(22)19-12-7-13-24-19)21(20)25-15-16-8-4-3-5-9-16/h3-13,18H,2,14-15,22H2,1H3
InChIKeyYGGRYRDHKXYWHF-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.50
Rot. Bonds8

About 2-(3-ethoxy-2-phenylmethoxyphenyl)-1-(furan-2-yl)ethanamine

2-(3-ethoxy-2-phenylmethoxyphenyl)-1-(furan-2-yl)ethanamine (PubChem CID 21157760) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(3-ethoxy-2-phenylmethoxyphenyl)-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxy-2-phenylmethoxyphenyl)-1-(furan-2-yl)ethanamine
PubChem CID21157760
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name2-(3-ethoxy-2-phenylmethoxyphenyl)-1-(furan-2-yl)ethanamine
SMILESCCOc1cccc(CC(N)c2ccco2)c1OCc1ccccc1
InChIInChI=1S/C21H23NO3/c1-2-23-20-11-6-10-17(14-18(22)19-12-7-13-24-19)21(20)25-15-16-8-4-3-5-9-16/h3-13,18H,2,14-15,22H2,1H3
InChIKeyYGGRYRDHKXYWHF-UHFFFAOYSA-N
XLogP4.50
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxy-2-phenylmethoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299444
4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine
CID 117482452
1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117479099
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol
CID 170856943
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]butan-2-amine
CID 4717056
2-(4-ethoxyphenyl)-1-(furan-2-yl)ethanamine
CID 22299339
1-(furan-2-yl)-2-phenylmethoxyethanamine
CID 16788903
1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4724419
(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8637363
(3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4086182

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-2-phenylmethoxyphenyl)-1-(furan-2-yl)ethanamine?
The IUPAC name of 2-(3-ethoxy-2-phenylmethoxyphenyl)-1-(furan-2-yl)ethanamine (CID 21157760) is 2-(3-ethoxy-2-phenylmethoxyphenyl)-1-(furan-2-yl)ethanamine.
What is the SMILES notation for 2-(3-ethoxy-2-phenylmethoxyphenyl)-1-(furan-2-yl)ethanamine?
The canonical SMILES for 2-(3-ethoxy-2-phenylmethoxyphenyl)-1-(furan-2-yl)ethanamine is CCOc1cccc(CC(N)c2ccco2)c1OCc1ccccc1.
What is the InChIKey of 2-(3-ethoxy-2-phenylmethoxyphenyl)-1-(furan-2-yl)ethanamine?
The InChIKey is YGGRYRDHKXYWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-2-23-20-11-6-10-17(14-18(22)19-12-7-13-24-19)21(20)25-15-16-8-4-3-5-9-16/h3-13,18H,2,14-15,22H2,1H3.
What are the key properties of 2-(3-ethoxy-2-phenylmethoxyphenyl)-1-(furan-2-yl)ethanamine?
2-(3-ethoxy-2-phenylmethoxyphenyl)-1-(furan-2-yl)ethanamine has a molecular weight of 337.42 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-2-phenylmethoxyphenyl)-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 21157760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).