2-(1,3-benzoxazol-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine

C17H24N2O — CID 66475965

IUPAC2-(1,3-benzoxazol-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
SMILESCNC(Cc1nc2ccccc2o1)C1C(C)(C)C1(C)C
InChIInChI=1S/C17H24N2O/c1-16(2)15(17(16,3)4)12(18-5)10-14-19-11-8-6-7-9-13(11)20-14/h6-9,12,15,18H,10H2,1-5H3
InChIKeyFTRNSWUGGLGPIP-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.64
Rot. Bonds4

About 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine

2-(1,3-benzoxazol-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine (PubChem CID 66475965) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
PubChem CID66475965
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(1,3-benzoxazol-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
SMILESCNC(Cc1nc2ccccc2o1)C1C(C)(C)C1(C)C
InChIInChI=1S/C17H24N2O/c1-16(2)15(17(16,3)4)12(18-5)10-14-19-11-8-6-7-9-13(11)20-14/h6-9,12,15,18H,10H2,1-5H3
InChIKeyFTRNSWUGGLGPIP-UHFFFAOYSA-N
XLogP3.64
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine with MolForge

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Related Compounds

2-(1,3-benzoxazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethanol
CID 107003662
1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane
CID 142930322
2-[(2R)-2-phenylpropyl]-1,3-benzoxazole
CID 134964619
2-ethyl-1,3-benzoxazole
CID 23239
2-(1,3-benzoxazol-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
CID 79807660
2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 66478066
2-(2-bromo-4,4-dimethylpentyl)-1,3-benzoxazole
CID 66461437
2-(3-methylbutyl)-1,3-benzoxazole;2-(2-methylpropyl)-1,3-benzoxazole
CID 177208287
1-(1,3-benzoxazol-2-yl)-4-methylpentan-2-amine
CID 43118594
2-(2-bromo-3,4-dimethylpentyl)-1,3-benzoxazole
CID 66460230
2-(2-bromo-2-cyclopropylethyl)-1,3-benzoxazole
CID 66459218
2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol
CID 66460866

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine (CID 66475965) is 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine is CNC(Cc1nc2ccccc2o1)C1C(C)(C)C1(C)C.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The InChIKey is FTRNSWUGGLGPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-16(2)15(17(16,3)4)12(18-5)10-14-19-11-8-6-7-9-13(11)20-14/h6-9,12,15,18H,10H2,1-5H3.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
2-(1,3-benzoxazol-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine has a molecular weight of 272.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine is sourced from PubChem (CID 66475965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).