N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine

C15H23NO — CID 79226351

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine
SMILESCCCC(CC)NCC1COc2ccccc21
InChIInChI=1S/C15H23NO/c1-3-7-13(4-2)16-10-12-11-17-15-9-6-5-8-14(12)15/h5-6,8-9,12-13,16H,3-4,7,10-11H2,1-2H3
InChIKeySIVYUKKYVVRPMD-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.33
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine (PubChem CID 79226351) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine
PubChem CID79226351
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine
SMILESCCCC(CC)NCC1COc2ccccc21
InChIInChI=1S/C15H23NO/c1-3-7-13(4-2)16-10-12-11-17-15-9-6-5-8-14(12)15/h5-6,8-9,12-13,16H,3-4,7,10-11H2,1-2H3
InChIKeySIVYUKKYVVRPMD-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-2-amine
CID 79226758
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79227058
(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81395215
ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate
CID 79226267
1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol
CID 113497582
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-iodo-3-methylbutan-2-amine
CID 107859372
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187
(1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81383137
2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid
CID 79218626
3-(3-chloropentyl)-2,3-dihydro-1-benzofuran
CID 79229342
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine (CID 79226351) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine is CCCC(CC)NCC1COc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine?
The InChIKey is SIVYUKKYVVRPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-7-13(4-2)16-10-12-11-17-15-9-6-5-8-14(12)15/h5-6,8-9,12-13,16H,3-4,7,10-11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine has a molecular weight of 233.36 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine is sourced from PubChem (CID 79226351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).