3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine

C14H19NO — CID 114733525

IUPAC3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)Cc1cc2ccccc2o1
InChIInChI=1S/C14H19NO/c1-3-15-10-11(2)8-13-9-12-6-4-5-7-14(12)16-13/h4-7,9,11,15H,3,8,10H2,1-2H3
InChIKeyXEJVHXCXXSPBCY-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.22
Rot. Bonds5

About 3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine

3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 114733525) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
PubChem CID114733525
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)Cc1cc2ccccc2o1
InChIInChI=1S/C14H19NO/c1-3-15-10-11(2)8-13-9-12-6-4-5-7-14(12)16-13/h4-7,9,11,15H,3,8,10H2,1-2H3
InChIKeyXEJVHXCXXSPBCY-UHFFFAOYSA-N
XLogP3.22
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114733511
N-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981918
(2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride
CID 139947537
N-ethyl-3-(furan-2-yl)-2-methylpropan-1-amine
CID 63000489
1-(1-benzofuran-2-yl)pentan-2-amine
CID 139946655
N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 78966709
CID 156725408
CID 156725408
N-ethyl-1-benzofuran-2-amine;hydrochloride
CID 23165634
N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine
CID 115592636
1-(1-benzofuran-2-yl)-N-prop-2-ynylpentan-2-amine;hydrochloride
CID 139947531
N-[1-(1-benzofuran-2-yl)propan-2-yl]cyclopropanecarboxamide
CID 119104139
2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine
CID 114733537

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine (CID 114733525) is 3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine is CCNCC(C)Cc1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is XEJVHXCXXSPBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-15-10-11(2)8-13-9-12-6-4-5-7-14(12)16-13/h4-7,9,11,15H,3,8,10H2,1-2H3.
What are the key properties of 3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine?
3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 217.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 114733525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).