1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine

C16H23NOS — CID 107269888

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine
SMILESCCC(NCC1(SC)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H23NOS/c1-3-14(17-11-16(19-2)7-8-16)12-4-5-15-13(10-12)6-9-18-15/h4-5,10,14,17H,3,6-9,11H2,1-2H3
InChIKeyPRKHLTOSWDRSHP-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.56
Rot. Bonds6

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine (PubChem CID 107269888) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine
PubChem CID107269888
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine
SMILESCCC(NCC1(SC)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H23NOS/c1-3-14(17-11-16(19-2)7-8-16)12-4-5-15-13(10-12)6-9-18-15/h4-5,10,14,17H,3,6-9,11H2,1-2H3
InChIKeyPRKHLTOSWDRSHP-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
CID 62693058
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2,3-dimethylbutan-1-amine
CID 64568486
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-3-methylsulfanylbutan-1-amine
CID 115716082
N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43757036
methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate
CID 43774755
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)propan-1-amine
CID 43778443
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 115712953
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43768025
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(oxan-4-ylmethyl)propan-1-amine
CID 63727497
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43754954

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine (CID 107269888) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine is CCC(NCC1(SC)CC1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine?
The InChIKey is PRKHLTOSWDRSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-3-14(17-11-16(19-2)7-8-16)12-4-5-15-13(10-12)6-9-18-15/h4-5,10,14,17H,3,6-9,11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 107269888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).