N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine

C18H28N2O — CID 43804204

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCC(C)C(CNCc1ccc2c(c1)CCO2)N1CCCC1
InChIInChI=1S/C18H28N2O/c1-14(2)17(20-8-3-4-9-20)13-19-12-15-5-6-18-16(11-15)7-10-21-18/h5-6,11,14,17,19H,3-4,7-10,12-13H2,1-2H3
InChIKeyGNZWPVSNGZKMGL-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.83
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 43804204) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID43804204
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCC(C)C(CNCc1ccc2c(c1)CCO2)N1CCCC1
InChIInChI=1S/C18H28N2O/c1-14(2)17(20-8-3-4-9-20)13-19-12-15-5-6-18-16(11-15)7-10-21-18/h5-6,11,14,17,19H,3-4,7-10,12-13H2,1-2H3
InChIKeyGNZWPVSNGZKMGL-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904175
3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-5-methylhexan-1-ol
CID 111498606
2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 78903826
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine
CID 102609948
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 60923933
1-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-2-ol
CID 115121424
1-cyclohexyl-N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-dimethylethane-1,2-diamine
CID 78903432
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 97217152
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 60930882
4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylaniline
CID 43804179
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 43804102

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine (CID 43804204) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine is CC(C)C(CNCc1ccc2c(c1)CCO2)N1CCCC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is GNZWPVSNGZKMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)17(20-8-3-4-9-20)13-19-12-15-5-6-18-16(11-15)7-10-21-18/h5-6,11,14,17,19H,3-4,7-10,12-13H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 43804204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).