N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine

C17H27NO — CID 102905615

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCC1Cc2ccccc2O1)C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)16(13(3)4)11-18-10-15-9-14-7-5-6-8-17(14)19-15/h5-8,12-13,15-16,18H,9-11H2,1-4H3
InChIKeyDKWOGUBDTKANLW-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.51
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine (PubChem CID 102905615) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
PubChem CID102905615
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCC1Cc2ccccc2O1)C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)16(13(3)4)11-18-10-15-9-14-7-5-6-8-17(14)19-15/h5-8,12-13,15-16,18H,9-11H2,1-4H3
InChIKeyDKWOGUBDTKANLW-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83144599
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol
CID 61004261
2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine
CID 106286562
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102913570
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N'-hydroxy-2-methylpropanimidamide
CID 77030360
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 114113651
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 61489564
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol
CID 66363821

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine (CID 102905615) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine is CC(C)C(CNCC1Cc2ccccc2O1)C(C)C.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The InChIKey is DKWOGUBDTKANLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)16(13(3)4)11-18-10-15-9-14-7-5-6-8-17(14)19-15/h5-8,12-13,15-16,18H,9-11H2,1-4H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.51, 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)-3-methyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102905615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).