3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine

C19H29NO — CID 43493488

IUPAC3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
SMILESCCNC(CCC1CCCC1)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C19H29NO/c1-3-20-18(10-8-15-6-4-5-7-15)16-9-11-19-17(13-16)12-14(2)21-19/h9,11,13-15,18,20H,3-8,10,12H2,1-2H3
InChIKeyBRAILUPCIPOUBO-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.63
Rot. Bonds6

About 3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine

3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine (PubChem CID 43493488) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
PubChem CID43493488
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
SMILESCCNC(CCC1CCCC1)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C19H29NO/c1-3-20-18(10-8-15-6-4-5-7-15)16-9-11-19-17(13-16)12-14(2)21-19/h9,11,13-15,18,20H,3-8,10,12H2,1-2H3
InChIKeyBRAILUPCIPOUBO-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 55032271
2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 114457557
N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine
CID 65156028
N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
CID 43493507
3-cyclopentyl-1-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 115796908
1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 79746697
3-cyclopentyl-N-ethyl-1-thiophen-3-ylpropan-1-amine
CID 104988399
1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 115811982
N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 43493498
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820033
N-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 106851654
5-(1-bromobutyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63443124

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine (CID 43493488) is 3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine is CCNC(CCC1CCCC1)c1ccc2c(c1)CC(C)O2.
What is the InChIKey of 3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The InChIKey is BRAILUPCIPOUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-20-18(10-8-15-6-4-5-7-15)16-9-11-19-17(13-16)12-14(2)21-19/h9,11,13-15,18,20H,3-8,10,12H2,1-2H3.
What are the key properties of 3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine is sourced from PubChem (CID 43493488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).