2-tert-butyl-1-(2,3-dihydro-1-benzofuran-7-yl)cyclohexan-1-amine

C18H27NO — CID 114743807

IUPAC2-tert-butyl-1-(2,3-dihydro-1-benzofuran-7-yl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1(N)c1cccc2c1OCC2
InChIInChI=1S/C18H27NO/c1-17(2,3)15-9-4-5-11-18(15,19)14-8-6-7-13-10-12-20-16(13)14/h6-8,15H,4-5,9-12,19H2,1-3H3
InChIKeyRBYOHAAFNLVFAK-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.01
Rot. Bonds1

About 2-tert-butyl-1-(2,3-dihydro-1-benzofuran-7-yl)cyclohexan-1-amine

2-tert-butyl-1-(2,3-dihydro-1-benzofuran-7-yl)cyclohexan-1-amine (PubChem CID 114743807) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-tert-butyl-1-(2,3-dihydro-1-benzofuran-7-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-1-(2,3-dihydro-1-benzofuran-7-yl)cyclohexan-1-amine
PubChem CID114743807
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-tert-butyl-1-(2,3-dihydro-1-benzofuran-7-yl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1(N)c1cccc2c1OCC2
InChIInChI=1S/C18H27NO/c1-17(2,3)15-9-4-5-11-18(15,19)14-8-6-7-13-10-12-20-16(13)14/h6-8,15H,4-5,9-12,19H2,1-3H3
InChIKeyRBYOHAAFNLVFAK-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1-naphthalen-1-ylcyclohexan-1-amine
CID 63407963
2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine
CID 54918914
2-tert-butyl-1-(2,3-difluorophenyl)cyclohexan-1-amine
CID 63987330
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylcyclohexan-1-amine
CID 114743920
1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine
CID 114743921
1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol
CID 114743207
1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol
CID 114743729
1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol
CID 114743453
2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114745488
1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol
CID 114747423
1-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-2,3-dihydroinden-1-ol
CID 114743658
cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 114744914

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(2,3-dihydro-1-benzofuran-7-yl)cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-1-(2,3-dihydro-1-benzofuran-7-yl)cyclohexan-1-amine (CID 114743807) is 2-tert-butyl-1-(2,3-dihydro-1-benzofuran-7-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-1-(2,3-dihydro-1-benzofuran-7-yl)cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-1-(2,3-dihydro-1-benzofuran-7-yl)cyclohexan-1-amine is CC(C)(C)C1CCCCC1(N)c1cccc2c1OCC2.
What is the InChIKey of 2-tert-butyl-1-(2,3-dihydro-1-benzofuran-7-yl)cyclohexan-1-amine?
The InChIKey is RBYOHAAFNLVFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-17(2,3)15-9-4-5-11-18(15,19)14-8-6-7-13-10-12-20-16(13)14/h6-8,15H,4-5,9-12,19H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(2,3-dihydro-1-benzofuran-7-yl)cyclohexan-1-amine?
2-tert-butyl-1-(2,3-dihydro-1-benzofuran-7-yl)cyclohexan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(2,3-dihydro-1-benzofuran-7-yl)cyclohexan-1-amine is sourced from PubChem (CID 114743807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).