N-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-N-ethylethanamine

C17H21NO — CID 645237

IUPACN-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-N-ethylethanamine
SMILESCCN(CC)Cc1cc2ccccc2c2c1COC2
InChIInChI=1S/C17H21NO/c1-3-18(4-2)10-14-9-13-7-5-6-8-15(13)17-12-19-11-16(14)17/h5-9H,3-4,10-12H2,1-2H3
InChIKeyBHPLHWSYFOPVQY-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.71
Rot. Bonds4

About N-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-N-ethylethanamine

N-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-N-ethylethanamine (PubChem CID 645237) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-N-ethylethanamine.

Molecular Properties

Compound NameN-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-N-ethylethanamine
PubChem CID645237
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-N-ethylethanamine
SMILESCCN(CC)Cc1cc2ccccc2c2c1COC2
InChIInChI=1S/C17H21NO/c1-3-18(4-2)10-14-9-13-7-5-6-8-15(13)17-12-19-11-16(14)17/h5-9H,3-4,10-12H2,1-2H3
InChIKeyBHPLHWSYFOPVQY-UHFFFAOYSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine derivative 1
CID 72792768
1-(1,3-Dihydrobenzo[e][2]benzofuran-4-ylmethyl)pyrrolidine
CID 822787
(1,3-Dihydro-naphtho[1,2-c]furan-4-ylmethyl)-dimethyl-amine
CID 919728
5-Aminomethyl-1-(3-dimethylamino-propyl)-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran
CID 11472927
1-[3-(dimethylamino)propyl]-1-naphthalen-1-yl-3H-2-benzofuran-5-carbonitrile
CID 89723211
(1,3-Dihydronaphtho[1,2-c]furan-4-ylmethyl)dipropylamine
CID 1604207
1'-(4-phenylbutyl)spiro[1H-benzo[e][2]benzofuran-3,4'-piperidine]
CID 15548721
4-[(4-Fluorophenyl)methoxymethyl]-1-(naphthalen-2-ylmethyl)piperidine;hydrochloride
CID 45262241
3-(1-(4-Fluorophenyl)-5-phenyl-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine
CID 46913907
rac-(E)-3-(1-(4-Fluorophenyl)-5-styryl-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine
CID 46914046
3-(1-(4-Fluorophenyl)-5-phenethyl-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine
CID 46914051
(R)-(-)-(E)-3-(1-(4-Fluorophenyl)-5-styryl-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine
CID 46914333

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-N-ethylethanamine?
The IUPAC name of N-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-N-ethylethanamine (CID 645237) is N-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-N-ethylethanamine.
What is the SMILES notation for N-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-N-ethylethanamine?
The canonical SMILES for N-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-N-ethylethanamine is CCN(CC)Cc1cc2ccccc2c2c1COC2.
What is the InChIKey of N-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-N-ethylethanamine?
The InChIKey is BHPLHWSYFOPVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-18(4-2)10-14-9-13-7-5-6-8-15(13)17-12-19-11-16(14)17/h5-9H,3-4,10-12H2,1-2H3.
What are the key properties of N-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-N-ethylethanamine?
N-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-N-ethylethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-N-ethylethanamine is sourced from PubChem (CID 645237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).