4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine

C18H29NOS — CID 65445719

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccc2c(c1)CCO2)CSC(C)C
InChIInChI=1S/C18H29NOS/c1-4-10-19-17(13-21-14(2)3)7-5-15-6-8-18-16(12-15)9-11-20-18/h6,8,12,14,17,19H,4-5,7,9-11,13H2,1-3H3
InChIKeySNZRCUTUUCHBMY-UHFFFAOYSA-N
MW307.50 g/mol
LogP4.06
Rot. Bonds9

About 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine

4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine (PubChem CID 65445719) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine
PubChem CID65445719
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccc2c(c1)CCO2)CSC(C)C
InChIInChI=1S/C18H29NOS/c1-4-10-19-17(13-21-14(2)3)7-5-15-6-8-18-16(12-15)9-11-20-18/h6,8,12,14,17,19H,4-5,7,9-11,13H2,1-3H3
InChIKeySNZRCUTUUCHBMY-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine with MolForge

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Related Compounds

5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine
CID 65445142
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine
CID 65447030
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine
CID 105213803
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine
CID 65444946
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,2-dimethylcyclopropyl)-N-propylpropan-1-amine
CID 107004507
3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65446270
2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 65444828
3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
CID 105152125
1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine
CID 115864502
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine
CID 65444965
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol
CID 65446456
1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine
CID 65445712

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine (CID 65445719) is 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine is CCCNC(CCc1ccc2c(c1)CCO2)CSC(C)C.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine?
The InChIKey is SNZRCUTUUCHBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-4-10-19-17(13-21-14(2)3)7-5-15-6-8-18-16(12-15)9-11-20-18/h6,8,12,14,17,19H,4-5,7,9-11,13H2,1-3H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine?
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine has a molecular weight of 307.50 g/mol, XLogP of 4.06, 9 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-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine is sourced from PubChem (CID 65445719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).