N-[[3-(cyclopentyloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine

C18H25NOS — CID 62444036

IUPACN-[[3-(cyclopentyloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc2ccccc2c1COC1CCCC1
InChIInChI=1S/C18H25NOS/c1-13(2)19-11-18-16(12-20-14-7-3-4-8-14)15-9-5-6-10-17(15)21-18/h5-6,9-10,13-14,19H,3-4,7-8,11-12H2,1-2H3
InChIKeyRUSABOLHKFDYOD-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.86
Rot. Bonds6

About N-[[3-(cyclopentyloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine

N-[[3-(cyclopentyloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine (PubChem CID 62444036) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[[3-(cyclopentyloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(cyclopentyloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
PubChem CID62444036
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-[[3-(cyclopentyloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc2ccccc2c1COC1CCCC1
InChIInChI=1S/C18H25NOS/c1-13(2)19-11-18-16(12-20-14-7-3-4-8-14)15-9-5-6-10-17(15)21-18/h5-6,9-10,13-14,19H,3-4,7-8,11-12H2,1-2H3
InChIKeyRUSABOLHKFDYOD-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(propoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 62451509
N-[[3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 62456910
N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378013
2-methyl-N-[[3-(oxetan-3-yloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 102608206
1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine
CID 63654913
N-[[3-(imidazol-1-ylmethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 62448315
1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 62445616
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62445578
N-[[3-(pentoxymethyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 62450074
N-[[5-[(3-ethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558977
N-[(3-chloro-1-benzothiophen-2-yl)methyl]cyclooctanamine
CID 60663054
1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62444638

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopentyloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(cyclopentyloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine (CID 62444036) is N-[[3-(cyclopentyloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(cyclopentyloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(cyclopentyloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine is CC(C)NCc1sc2ccccc2c1COC1CCCC1.
What is the InChIKey of N-[[3-(cyclopentyloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine?
The InChIKey is RUSABOLHKFDYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-13(2)19-11-18-16(12-20-14-7-3-4-8-14)15-9-5-6-10-17(15)21-18/h5-6,9-10,13-14,19H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of N-[[3-(cyclopentyloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine?
N-[[3-(cyclopentyloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine has a molecular weight of 303.47 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopentyloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62444036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).