N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine

C18H29NO — CID 65308355

IUPACN-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine
SMILESCC(C)(CCc1ccc2c(c1)CCO2)CNC(C)(C)C
InChIInChI=1S/C18H29NO/c1-17(2,3)19-13-18(4,5)10-8-14-6-7-16-15(12-14)9-11-20-16/h6-7,12,19H,8-11,13H2,1-5H3
InChIKeyPOZUOHDLBALOMU-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.97
Rot. Bonds5

About N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine

N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine (PubChem CID 65308355) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine
PubChem CID65308355
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine
SMILESCC(C)(CCc1ccc2c(c1)CCO2)CNC(C)(C)C
InChIInChI=1S/C18H29NO/c1-17(2,3)19-13-18(4,5)10-8-14-6-7-16-15(12-14)9-11-20-16/h6-7,12,19H,8-11,13H2,1-5H3
InChIKeyPOZUOHDLBALOMU-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-5-(2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylpentan-1-amine
CID 65304245
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65306110
6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol
CID 65442461
5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 106147353
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylbut-3-yn-2-amine
CID 65446355
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylbutane-1,3-diamine
CID 115200827
4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol
CID 65446028
3-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-N,3-dimethylbutane-1,3-diamine
CID 115135033
N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 107445174
2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
CID 114794918
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 65446095

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine (CID 65308355) is N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine is CC(C)(CCc1ccc2c(c1)CCO2)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is POZUOHDLBALOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2,3)19-13-18(4,5)10-8-14-6-7-16-15(12-14)9-11-20-16/h6-7,12,19H,8-11,13H2,1-5H3.
What are the key properties of N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine?
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65308355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).