N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine

C16H25NO — CID 102609948

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine
SMILESCC(C)C(C)(C)CNCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H25NO/c1-12(2)16(3,4)11-17-10-13-5-6-15-14(9-13)7-8-18-15/h5-6,9,12,17H,7-8,10-11H2,1-4H3
InChIKeyMNAQGFRXPQTRRI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.39
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine (PubChem CID 102609948) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine
PubChem CID102609948
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine
SMILESCC(C)C(C)(C)CNCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H25NO/c1-12(2)16(3,4)11-17-10-13-5-6-15-14(9-13)7-8-18-15/h5-6,9,12,17H,7-8,10-11H2,1-4H3
InChIKeyMNAQGFRXPQTRRI-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-2-methylsulfanylpropan-1-amine
CID 113245808
1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,4-dimethylpentan-2-ol
CID 66179768
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-methylpropane-1,2-diol
CID 66169664
3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]pentan-3-ol
CID 62060184
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904175
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylaniline
CID 43804179
[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213219
(2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol
CID 93297893
3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-5-methylhexan-1-ol
CID 111498606
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351788
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine
CID 43804174

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine (CID 102609948) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine is CC(C)C(C)(C)CNCc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine?
The InChIKey is MNAQGFRXPQTRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)16(3,4)11-17-10-13-5-6-15-14(9-13)7-8-18-15/h5-6,9,12,17H,7-8,10-11H2,1-4H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.39, 5 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-5-ylmethyl)-2,2,3-trimethylbutan-1-amine is sourced from PubChem (CID 102609948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).