(5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine

C16H21NO — CID 65438710

IUPAC(5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine
SMILESCC(C)(C)c1ccc2oc(C(N)C3CC3)cc2c1
InChIInChI=1S/C16H21NO/c1-16(2,3)12-6-7-13-11(8-12)9-14(18-13)15(17)10-4-5-10/h6-10,15H,4-5,17H2,1-3H3
InChIKeyJYWUVWAUSNSSBZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.14
Rot. Bonds2

About (5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine

(5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine (PubChem CID 65438710) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine
PubChem CID65438710
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine
SMILESCC(C)(C)c1ccc2oc(C(N)C3CC3)cc2c1
InChIInChI=1S/C16H21NO/c1-16(2,3)12-6-7-13-11(8-12)9-14(18-13)15(17)10-4-5-10/h6-10,15H,4-5,17H2,1-3H3
InChIKeyJYWUVWAUSNSSBZ-UHFFFAOYSA-N
XLogP4.14
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine
CID 64776063
(5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine
CID 114729243
(5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine
CID 114729198
(5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine
CID 114729273
5-tert-butyl-2-(5-tert-butyl-1-benzofuran-2-yl)-1-benzofuran
CID 102492573
5-tert-butyl-2-(trifluoromethyl)-1-benzofuran
CID 171548664
(5-tert-butylfuran-2-yl)-cyclopropylmethanamine
CID 165354721
(5-bromo-1-benzofuran-2-yl)-(oxolan-3-yl)methanamine
CID 113483617
1-benzofuran-2-yl-(2-methylcyclopentyl)methanamine
CID 107191076
1-(5-tert-butyl-1-benzofuran-2-yl)piperazine
CID 164933841
(5-tert-butyl-2-methylphenyl)-cyclobutylmethanamine
CID 82289393
5-tert-butyl-2-(chloromethyl)-1-benzofuran
CID 46398310

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine?
The IUPAC name of (5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine (CID 65438710) is (5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine.
What is the SMILES notation for (5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine?
The canonical SMILES for (5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine is CC(C)(C)c1ccc2oc(C(N)C3CC3)cc2c1.
What is the InChIKey of (5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine?
The InChIKey is JYWUVWAUSNSSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-16(2,3)12-6-7-13-11(8-12)9-14(18-13)15(17)10-4-5-10/h6-10,15H,4-5,17H2,1-3H3.
What are the key properties of (5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine?
(5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine has a molecular weight of 243.35 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine is sourced from PubChem (CID 65438710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).