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

C17H27NO — CID 65445712

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine
SMILESCNC(CCc1ccc2c(c1)CCO2)CC(C)(C)C
InChIInChI=1S/C17H27NO/c1-17(2,3)12-15(18-4)7-5-13-6-8-16-14(11-13)9-10-19-16/h6,8,11,15,18H,5,7,9-10,12H2,1-4H3
InChIKeyBKVLNKLLCWCODV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.58
Rot. Bonds5

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

1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine (PubChem CID 65445712) 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,5,5-trimethylhexan-3-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine
PubChem CID65445712
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine
SMILESCNC(CCc1ccc2c(c1)CCO2)CC(C)(C)C
InChIInChI=1S/C17H27NO/c1-17(2,3)12-15(18-4)7-5-13-6-8-16-14(11-13)9-10-19-16/h6,8,11,15,18H,5,7,9-10,12H2,1-4H3
InChIKeyBKVLNKLLCWCODV-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxy-N-methylpentan-3-amine
CID 65445330
1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine
CID 115864502
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine
CID 65444946
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine
CID 105213803
5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine
CID 65445142
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine
CID 65447030
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65447213
1-(2,3-dihydro-1-benzofuran-5-yl)-4-ethyl-4-methoxy-N-methylhexan-3-amine
CID 116760880
7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine
CID 65442850
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
1-(2-bromofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 106857730
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethoxybutan-2-yl]hydrazine
CID 105235222

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine (CID 65445712) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine is CNC(CCc1ccc2c(c1)CCO2)CC(C)(C)C.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine?
The InChIKey is BKVLNKLLCWCODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,3)12-15(18-4)7-5-13-6-8-16-14(11-13)9-10-19-16/h6,8,11,15,18H,5,7,9-10,12H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine has a molecular weight of 261.41 g/mol, XLogP of 3.58, 5 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,5,5-trimethylhexan-3-amine is sourced from PubChem (CID 65445712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).