7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine

C17H27NO — CID 65442850

IUPAC7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine
SMILESCNC(CCCCc1ccc2c(c1)CCO2)C(C)C
InChIInChI=1S/C17H27NO/c1-13(2)16(18-3)7-5-4-6-14-8-9-17-15(12-14)10-11-19-17/h8-9,12-13,16,18H,4-7,10-11H2,1-3H3
InChIKeyMOEUATRFSJUBHW-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.58
Rot. Bonds7

About 7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine

7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine (PubChem CID 65442850) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine.

Molecular Properties

Compound Name7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine
PubChem CID65442850
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine
SMILESCNC(CCCCc1ccc2c(c1)CCO2)C(C)C
InChIInChI=1S/C17H27NO/c1-13(2)16(18-3)7-5-4-6-14-8-9-17-15(12-14)10-11-19-17/h8-9,12-13,16,18H,4-7,10-11H2,1-3H3
InChIKeyMOEUATRFSJUBHW-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

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine
CID 115864502
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
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)-5-methoxy-N-methylpentan-3-amine
CID 65445330
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 65446095
O-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydroxylamine
CID 83698233
(2S)-2-[3-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-3-methylbutanoic acid
CID 122037040
5-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentan-1-amine
CID 65300933
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]butan-1-amine
CID 65446335
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490999

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine?
The IUPAC name of 7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine (CID 65442850) is 7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine.
What is the SMILES notation for 7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine?
The canonical SMILES for 7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine is CNC(CCCCc1ccc2c(c1)CCO2)C(C)C.
What is the InChIKey of 7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine?
The InChIKey is MOEUATRFSJUBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)16(18-3)7-5-4-6-14-8-9-17-15(12-14)10-11-19-17/h8-9,12-13,16,18H,4-7,10-11H2,1-3H3.
What are the key properties of 7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine?
7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-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 7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine is sourced from PubChem (CID 65442850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).