N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine

C17H21NO2 — CID 114820033

IUPACN-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1coc(C)c1)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C17H21NO2/c1-4-18-17(15-7-11(2)19-10-15)13-5-6-16-14(9-13)8-12(3)20-16/h5-7,9-10,12,17-18H,4,8H2,1-3H3
InChIKeyCYMRFPMHSKMRMG-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.61
Rot. Bonds4

About N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine

N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine (PubChem CID 114820033) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine
PubChem CID114820033
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1coc(C)c1)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C17H21NO2/c1-4-18-17(15-7-11(2)19-10-15)13-5-6-16-14(9-13)8-12(3)20-16/h5-7,9-10,12,17-18H,4,8H2,1-3H3
InChIKeyCYMRFPMHSKMRMG-UHFFFAOYSA-N
XLogP3.61
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 43493498
N-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 106851654
N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
CID 43493507
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 43498090
2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 55032271
N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114819976
N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 115790238
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 43498094
3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43493488
(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine
CID 42129700
(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 82758743
1-(furan-3-yl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43487185

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine (CID 114820033) is N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine is CCNC(c1coc(C)c1)c1ccc2c(c1)CC(C)O2.
What is the InChIKey of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine?
The InChIKey is CYMRFPMHSKMRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-18-17(15-7-11(2)19-10-15)13-5-6-16-14(9-13)8-12(3)20-16/h5-7,9-10,12,17-18H,4,8H2,1-3H3.
What are the key properties of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine?
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 114820033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).