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

C17H27NO — CID 81020255

IUPACN-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutan-1-amine
SMILESCC(CCNC(C)(C)C)CC1COc2ccccc21
InChIInChI=1S/C17H27NO/c1-13(9-10-18-17(2,3)4)11-14-12-19-16-8-6-5-7-15(14)16/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeyQBFQRHHCOKXDHM-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.97
Rot. Bonds5

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

N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutan-1-amine (PubChem CID 81020255) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutan-1-amine
PubChem CID81020255
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutan-1-amine
SMILESCC(CCNC(C)(C)C)CC1COc2ccccc21
InChIInChI=1S/C17H27NO/c1-13(9-10-18-17(2,3)4)11-14-12-19-16-8-6-5-7-15(14)16/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeyQBFQRHHCOKXDHM-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 79230229
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine
CID 79229690
3-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79229188
4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanoic acid
CID 81008483
4-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 104772524
1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine
CID 79229480
N-[2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine
CID 83138647
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine
CID 79229508
5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 79229851
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine
CID 79218781
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol
CID 79218532
3-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79229269

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutan-1-amine (CID 81020255) is N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutan-1-amine is CC(CCNC(C)(C)C)CC1COc2ccccc21.
What is the InChIKey of N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutan-1-amine?
The InChIKey is QBFQRHHCOKXDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(9-10-18-17(2,3)4)11-14-12-19-16-8-6-5-7-15(14)16/h5-8,13-14,18H,9-12H2,1-4H3.
What are the key properties of N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutan-1-amine?
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutan-1-amine has a molecular weight of 261.41 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-3-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 81020255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).