(E)-N-(1-benzofuran-7-ylmethyl)-N-ethyl-3-phenylprop-2-en-1-amine

C20H21NO — CID 127048636

IUPAC(E)-N-(1-benzofuran-7-ylmethyl)-N-ethyl-3-phenylprop-2-en-1-amine
SMILESCCN(C/C=C/c1ccccc1)Cc1cccc2ccoc12
InChIInChI=1S/C20H21NO/c1-2-21(14-7-10-17-8-4-3-5-9-17)16-19-12-6-11-18-13-15-22-20(18)19/h3-13,15H,2,14,16H2,1H3/b10-7+
InChIKeyOMLILEWDSGADFS-JXMROGBWSA-N
MW291.39 g/mol
LogP4.97
Rot. Bonds6

About (E)-N-(1-benzofuran-7-ylmethyl)-N-ethyl-3-phenylprop-2-en-1-amine

(E)-N-(1-benzofuran-7-ylmethyl)-N-ethyl-3-phenylprop-2-en-1-amine (PubChem CID 127048636) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (E)-N-(1-benzofuran-7-ylmethyl)-N-ethyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1-benzofuran-7-ylmethyl)-N-ethyl-3-phenylprop-2-en-1-amine
PubChem CID127048636
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(E)-N-(1-benzofuran-7-ylmethyl)-N-ethyl-3-phenylprop-2-en-1-amine
SMILESCCN(C/C=C/c1ccccc1)Cc1cccc2ccoc12
InChIInChI=1S/C20H21NO/c1-2-21(14-7-10-17-8-4-3-5-9-17)16-19-12-6-11-18-13-15-22-20(18)19/h3-13,15H,2,14,16H2,1H3/b10-7+
InChIKeyOMLILEWDSGADFS-JXMROGBWSA-N
XLogP4.97
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine
CID 127048975
(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-fluorophenyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 127048629
(E)-N-(1-benzofuran-7-ylmethyl)-N-methylbut-2-en-1-amine;hydrochloride
CID 127050911
N'-ethyl-N,N-dimethyl-N'-(3-phenylprop-2-enyl)ethane-1,2-diamine
CID 2845846
2-[1-benzofuran-7-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 166268250
(Z)-N-(furan-2-ylmethyl)-3-phenyl-N-[(Z)-3-phenylprop-2-enyl]prop-2-en-1-amine
CID 7323739
(E)-N-(1-benzofuran-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 127048961
hydron;(E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine;chloride
CID 67108133
(E)-N-(naphthalen-1-ylmethyl)-3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 12912976
7-butyl-1-benzofuran
CID 68789907
7-pentyl-1-benzofuran
CID 90916397
7-prop-2-enyl-1-benzofuran
CID 130133071

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-benzofuran-7-ylmethyl)-N-ethyl-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-(1-benzofuran-7-ylmethyl)-N-ethyl-3-phenylprop-2-en-1-amine (CID 127048636) is (E)-N-(1-benzofuran-7-ylmethyl)-N-ethyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-(1-benzofuran-7-ylmethyl)-N-ethyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-(1-benzofuran-7-ylmethyl)-N-ethyl-3-phenylprop-2-en-1-amine is CCN(C/C=C/c1ccccc1)Cc1cccc2ccoc12.
What is the InChIKey of (E)-N-(1-benzofuran-7-ylmethyl)-N-ethyl-3-phenylprop-2-en-1-amine?
The InChIKey is OMLILEWDSGADFS-JXMROGBWSA-N. The full InChI is InChI=1S/C20H21NO/c1-2-21(14-7-10-17-8-4-3-5-9-17)16-19-12-6-11-18-13-15-22-20(18)19/h3-13,15H,2,14,16H2,1H3/b10-7+.
What are the key properties of (E)-N-(1-benzofuran-7-ylmethyl)-N-ethyl-3-phenylprop-2-en-1-amine?
(E)-N-(1-benzofuran-7-ylmethyl)-N-ethyl-3-phenylprop-2-en-1-amine has a molecular weight of 291.39 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-benzofuran-7-ylmethyl)-N-ethyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 127048636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).