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

C17H27NO — CID 65447030

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine
SMILESCCNC(CCc1ccc2c(c1)CCO2)CC(C)C
InChIInChI=1S/C17H27NO/c1-4-18-16(11-13(2)3)7-5-14-6-8-17-15(12-14)9-10-19-17/h6,8,12-13,16,18H,4-5,7,9-11H2,1-3H3
InChIKeyRYMNJXJURCGNMZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.58
Rot. Bonds7

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

1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine (PubChem CID 65447030) 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-ethyl-5-methylhexan-3-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine
PubChem CID65447030
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine
SMILESCCNC(CCc1ccc2c(c1)CCO2)CC(C)C
InChIInChI=1S/C17H27NO/c1-4-18-16(11-13(2)3)7-5-14-6-8-17-15(12-14)9-10-19-17/h6,8,12-13,16,18H,4-5,7,9-11H2,1-3H3
InChIKeyRYMNJXJURCGNMZ-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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)-N-ethylpentan-3-amine
CID 65444946
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 65445719
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 65444828
5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine
CID 65445142
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine
CID 115864534
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine
CID 105213803
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)-N-ethylpropan-1-amine
CID 65446095
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethoxybutan-2-yl]hydrazine
CID 105235222
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4-methylpentanoic acid
CID 65444506

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine (CID 65447030) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine is CCNC(CCc1ccc2c(c1)CCO2)CC(C)C.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine?
The InChIKey is RYMNJXJURCGNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-18-16(11-13(2)3)7-5-14-6-8-17-15(12-14)9-10-19-17/h6,8,12-13,16,18H,4-5,7,9-11H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine has a molecular weight of 261.41 g/mol, XLogP of 3.58, 7 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-ethyl-5-methylhexan-3-amine is sourced from PubChem (CID 65447030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).