1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine

C16H25NO — CID 43495458

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H25NO/c1-4-8-17-15(10-12(2)3)13-5-6-16-14(11-13)7-9-18-16/h5-6,11-12,15,17H,4,7-10H2,1-3H3
InChIKeyMNFAVYVHCSACFU-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.71
Rot. Bonds6

About 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine

1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine (PubChem CID 43495458) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine
PubChem CID43495458
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H25NO/c1-4-8-17-15(10-12(2)3)13-5-6-16-14(11-13)7-9-18-16/h5-6,11-12,15,17H,4,7-10H2,1-3H3
InChIKeyMNFAVYVHCSACFU-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine
CID 62065655
3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol
CID 65234969
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine
CID 115819586
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylhex-4-yn-1-amine
CID 105037301
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine
CID 43495473
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 80605296
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine
CID 115845362
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methylpentan-1-amine
CID 43489857
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62199949
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-3-methylsulfanylbutan-1-amine
CID 115716082
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518674

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine (CID 43495458) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)C)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is MNFAVYVHCSACFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-8-17-15(10-12(2)3)13-5-6-16-14(11-13)7-9-18-16/h5-6,11-12,15,17H,4,7-10H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 43495458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).