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

C15H23NO — CID 54895979

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine
SMILESCCCCC(C)NCC1Cc2ccccc2O1
InChIInChI=1S/C15H23NO/c1-3-4-7-12(2)16-11-14-10-13-8-5-6-9-15(13)17-14/h5-6,8-9,12,14,16H,3-4,7,10-11H2,1-2H3
InChIKeyPOPMIQQQZQAKHD-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.16
Rot. Bonds6

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

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine (PubChem CID 54895979) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine
PubChem CID54895979
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine
SMILESCCCCC(C)NCC1Cc2ccccc2O1
InChIInChI=1S/C15H23NO/c1-3-4-7-12(2)16-11-14-10-13-8-5-6-9-15(13)17-14/h5-6,8-9,12,14,16H,3-4,7,10-11H2,1-2H3
InChIKeyPOPMIQQQZQAKHD-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)butan-2-amine
CID 83186640
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 66349179
(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
CID 104867584
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine
CID 66347030
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nonan-2-amine
CID 43130020
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
CID 63492046
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide
CID 115676291
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 79036025
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine
CID 66365713
1-(5-bromofuran-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 104652832
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine
CID 61003470

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine (CID 54895979) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine is CCCCC(C)NCC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine?
The InChIKey is POPMIQQQZQAKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-4-7-12(2)16-11-14-10-13-8-5-6-9-15(13)17-14/h5-6,8-9,12,14,16H,3-4,7,10-11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 3.16, 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-2-ylmethyl)hexan-2-amine is sourced from PubChem (CID 54895979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).