5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine

C18H29NO — CID 65304136

IUPAC5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine
SMILESCCCNCCC(C)(C)CCc1ccc2c(c1)COC2
InChIInChI=1S/C18H29NO/c1-4-10-19-11-9-18(2,3)8-7-15-5-6-16-13-20-14-17(16)12-15/h5-6,12,19H,4,7-11,13-14H2,1-3H3
InChIKeyZLTBJYZPMPODGV-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.07
Rot. Bonds8

About 5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine

5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine (PubChem CID 65304136) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine
PubChem CID65304136
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine
SMILESCCCNCCC(C)(C)CCc1ccc2c(c1)COC2
InChIInChI=1S/C18H29NO/c1-4-10-19-11-9-18(2,3)8-7-15-5-6-16-13-20-14-17(16)12-15/h5-6,12,19H,4,7-11,13-14H2,1-3H3
InChIKeyZLTBJYZPMPODGV-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine
CID 65303621
3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine
CID 81022227
5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine
CID 65308821
6-(1,3-dihydro-2-benzofuran-5-yl)-N-methylhexan-1-amine
CID 65306411
3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine
CID 156569114
3,3-dimethyl-N-propyl-5-(2,4,6-trichlorophenyl)pentan-1-amine
CID 105350355
4-(3,4-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 65308797
22-ethyl-3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene
CID 23276776
5-(1,3-dihydro-2-benzofuran-5-yl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65304087
N-tert-butyl-5-(2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylpentan-1-amine
CID 65304245
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63021290
5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine
CID 79990855

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine?
The IUPAC name of 5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine (CID 65304136) is 5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine.
What is the SMILES notation for 5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine?
The canonical SMILES for 5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine is CCCNCCC(C)(C)CCc1ccc2c(c1)COC2.
What is the InChIKey of 5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine?
The InChIKey is ZLTBJYZPMPODGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-10-19-11-9-18(2,3)8-7-15-5-6-16-13-20-14-17(16)12-15/h5-6,12,19H,4,7-11,13-14H2,1-3H3.
What are the key properties of 5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine?
5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 65304136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).