4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-ethylthiolan-3-amine

C15H21NOS — CID 83196939

IUPAC4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-ethylthiolan-3-amine
SMILESCCNC1CSCC1CC1COc2ccccc21
InChIInChI=1S/C15H21NOS/c1-2-16-14-10-18-9-12(14)7-11-8-17-15-6-4-3-5-13(11)15/h3-6,11-12,14,16H,2,7-10H2,1H3
InChIKeyXQBNRIQVPIKJHP-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.89
Rot. Bonds4

About 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-ethylthiolan-3-amine

4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-ethylthiolan-3-amine (PubChem CID 83196939) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-ethylthiolan-3-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-ethylthiolan-3-amine
PubChem CID83196939
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-ethylthiolan-3-amine
SMILESCCNC1CSCC1CC1COc2ccccc21
InChIInChI=1S/C15H21NOS/c1-2-16-14-10-18-9-12(14)7-11-8-17-15-6-4-3-5-13(11)15/h3-6,11-12,14,16H,2,7-10H2,1H3
InChIKeyXQBNRIQVPIKJHP-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 79229851
3-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 79219731
4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
CID 79229528
1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine
CID 79219919
N-ethyl-4-(naphthalen-1-ylmethyl)thiolan-3-amine
CID 83196512
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 102429036
3-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79229269
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103966172
(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81395215
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol
CID 79220406
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethylcyclopentan-1-amine
CID 79221352
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-ethylthiolan-3-amine?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-ethylthiolan-3-amine (CID 83196939) is 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-ethylthiolan-3-amine.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-ethylthiolan-3-amine?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-ethylthiolan-3-amine is CCNC1CSCC1CC1COc2ccccc21.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-ethylthiolan-3-amine?
The InChIKey is XQBNRIQVPIKJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-2-16-14-10-18-9-12(14)7-11-8-17-15-6-4-3-5-13(11)15/h3-6,11-12,14,16H,2,7-10H2,1H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-ethylthiolan-3-amine?
4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-ethylthiolan-3-amine has a molecular weight of 263.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-ethylthiolan-3-amine is sourced from PubChem (CID 83196939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).