N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine

C18H23NO — CID 43768499

IUPACN-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1c(C(C)NC(C2CC2)C2CC2)oc2ccccc12
InChIInChI=1S/C18H23NO/c1-11-15-5-3-4-6-16(15)20-18(11)12(2)19-17(13-7-8-13)14-9-10-14/h3-6,12-14,17,19H,7-10H2,1-2H3
InChIKeyTUSLVXKAJAPEOG-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.58
Rot. Bonds5

About N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine

N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 43768499) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID43768499
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1c(C(C)NC(C2CC2)C2CC2)oc2ccccc12
InChIInChI=1S/C18H23NO/c1-11-15-5-3-4-6-16(15)20-18(11)12(2)19-17(13-7-8-13)14-9-10-14/h3-6,12-14,17,19H,7-10H2,1-2H3
InChIKeyTUSLVXKAJAPEOG-UHFFFAOYSA-N
XLogP4.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43781331
4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine
CID 43761485
1-(furan-2-yl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43776740
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472055
2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine
CID 83009316
N,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
CID 43778106
(1R)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81393232
1-methoxy-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butan-2-amine
CID 65047423
4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol
CID 103786449
(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
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide
CID 47062264

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine (CID 43768499) is N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine is Cc1c(C(C)NC(C2CC2)C2CC2)oc2ccccc12.
What is the InChIKey of N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is TUSLVXKAJAPEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-11-15-5-3-4-6-16(15)20-18(11)12(2)19-17(13-7-8-13)14-9-10-14/h3-6,12-14,17,19H,7-10H2,1-2H3.
What are the key properties of N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine?
N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 43768499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).