N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine

C18H26N2O — CID 61472055

IUPACN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCc1c(C(C)NC(C)CN2CCCC2)oc2ccccc12
InChIInChI=1S/C18H26N2O/c1-13(12-20-10-6-7-11-20)19-15(3)18-14(2)16-8-4-5-9-17(16)21-18/h4-5,8-9,13,15,19H,6-7,10-12H2,1-3H3
InChIKeyGSTMVKWIBSBAKM-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.88
Rot. Bonds5

About N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine

N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 61472055) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID61472055
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCc1c(C(C)NC(C)CN2CCCC2)oc2ccccc12
InChIInChI=1S/C18H26N2O/c1-13(12-20-10-6-7-11-20)19-15(3)18-14(2)16-8-4-5-9-17(16)21-18/h4-5,8-9,13,15,19H,6-7,10-12H2,1-3H3
InChIKeyGSTMVKWIBSBAKM-UHFFFAOYSA-N
XLogP3.88
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61471730
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]hex-5-yn-3-amine
CID 115723565
N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 43768499
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43781331
1-(furan-2-yl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43776740
4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol
CID 103786449
1-methoxy-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butan-2-amine
CID 65047423
N,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
CID 43778106
(1S)-N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 97230556
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine
CID 83009316
N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80701226

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine (CID 61472055) is N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine is Cc1c(C(C)NC(C)CN2CCCC2)oc2ccccc12.
What is the InChIKey of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is GSTMVKWIBSBAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(12-20-10-6-7-11-20)19-15(3)18-14(2)16-8-4-5-9-17(16)21-18/h4-5,8-9,13,15,19H,6-7,10-12H2,1-3H3.
What are the key properties of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 286.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 61472055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).