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

C17H27NO — CID 63021290

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc2c(c1)COC2)C(C)(C)CC
InChIInChI=1S/C17H27NO/c1-5-9-18-16(17(3,4)6-2)13-7-8-14-11-19-12-15(14)10-13/h7-8,10,16,18H,5-6,9,11-12H2,1-4H3
InChIKeySBGXBVPUSCGHCW-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.19
Rot. Bonds6

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

1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine (PubChem CID 63021290) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
PubChem CID63021290
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc2c(c1)COC2)C(C)(C)CC
InChIInChI=1S/C17H27NO/c1-5-9-18-16(17(3,4)6-2)13-7-8-14-11-19-12-15(14)10-13/h7-8,10,16,18H,5-6,9,11-12H2,1-4H3
InChIKeySBGXBVPUSCGHCW-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 63502995
2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine
CID 115851112
1-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496762
2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 63504197
5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 62679554
1-(1,3-dihydro-2-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518874
N-[(2-bromofuran-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 106851805
N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine
CID 63020418
1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine
CID 105037474
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63019719
1-(3-bromo-4-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63503843
N-[1,3-dihydro-2-benzofuran-5-yl-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177806

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine (CID 63021290) is 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine is CCCNC(c1ccc2c(c1)COC2)C(C)(C)CC.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine?
The InChIKey is SBGXBVPUSCGHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-9-18-16(17(3,4)6-2)13-7-8-14-11-19-12-15(14)10-13/h7-8,10,16,18H,5-6,9,11-12H2,1-4H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine?
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 63021290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).