N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine

C14H21NO — CID 79230229

IUPACN-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCC1COc2ccccc21
InChIInChI=1S/C14H21NO/c1-14(2,3)15-9-8-11-10-16-13-7-5-4-6-12(11)13/h4-7,11,15H,8-10H2,1-3H3
InChIKeyVQNHHQVXEGGNIT-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.94
Rot. Bonds3

About N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine

N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 79230229) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
PubChem CID79230229
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCC1COc2ccccc21
InChIInChI=1S/C14H21NO/c1-14(2,3)15-9-8-11-10-16-13-7-5-4-6-12(11)13/h4-7,11,15H,8-10H2,1-3H3
InChIKeyVQNHHQVXEGGNIT-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine
CID 79229690
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutan-1-amine
CID 81020255
4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
CID 79229528
1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine
CID 79229480
3-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79229269
N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79219918
(Z)-N-tert-butyl-5-(3,4-dihydro-2H-chromen-4-yl)-4-methylpent-3-en-1-amine
CID 104772466
N-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine
CID 79229614
3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile
CID 79229340
3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol
CID 114154063
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 102429036
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine (CID 79230229) is N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCC1COc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is VQNHHQVXEGGNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,3)15-9-8-11-10-16-13-7-5-4-6-12(11)13/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79230229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).