1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine

C17H27NO — CID 115864502

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine
SMILESCNC(CCc1ccc2c(c1)CCO2)C(C)C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)13(3)16(18-4)7-5-14-6-8-17-15(11-14)9-10-19-17/h6,8,11-13,16,18H,5,7,9-10H2,1-4H3
InChIKeyVMULFDVORQJLDS-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.43
Rot. Bonds6

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine

1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine (PubChem CID 115864502) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine
PubChem CID115864502
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine
SMILESCNC(CCc1ccc2c(c1)CCO2)C(C)C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)13(3)16(18-4)7-5-14-6-8-17-15(11-14)9-10-19-17/h6,8,11-13,16,18H,5,7,9-10H2,1-4H3
InChIKeyVMULFDVORQJLDS-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine
CID 65442850
1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine
CID 116722245
1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine
CID 65445712
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxy-N-methylpentan-3-amine
CID 65445330
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65447213
[4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine
CID 105265014
[1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylsulfonylpentan-3-yl]hydrazine
CID 105310444
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
5-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentan-1-amine
CID 65300933
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine
CID 65447030
1-(2,3-dihydro-1-benzofuran-5-yl)-4-ethyl-4-methoxy-N-methylhexan-3-amine
CID 116760880
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine
CID 65444946

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine (CID 115864502) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine is CNC(CCc1ccc2c(c1)CCO2)C(C)C(C)C.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine?
The InChIKey is VMULFDVORQJLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)13(3)16(18-4)7-5-14-6-8-17-15(11-14)9-10-19-17/h6,8,11-13,16,18H,5,7,9-10H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine has a molecular weight of 261.41 g/mol, XLogP of 3.43, 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)-N,4,5-trimethylhexan-3-amine is sourced from PubChem (CID 115864502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).