N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine

C15H16F3NO — CID 106210012

IUPACN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCc1c(C(C)NC2(C(F)(F)F)CC2)oc2ccccc12
InChIInChI=1S/C15H16F3NO/c1-9-11-5-3-4-6-12(11)20-13(9)10(2)19-14(7-8-14)15(16,17)18/h3-6,10,19H,7-8H2,1-2H3
InChIKeyTVAACQRCFKFSMN-UHFFFAOYSA-N
MW283.29 g/mol
LogP4.49
Rot. Bonds3

About N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210012) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210012
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC NameN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCc1c(C(C)NC2(C(F)(F)F)CC2)oc2ccccc12
InChIInChI=1S/C15H16F3NO/c1-9-11-5-3-4-6-12(11)20-13(9)10(2)19-14(7-8-14)15(16,17)18/h3-6,10,19H,7-8H2,1-2H3
InChIKeyTVAACQRCFKFSMN-UHFFFAOYSA-N
XLogP4.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43755050
1-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119737250
4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
CID 43762928
N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 43768499
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide
CID 47062264
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine
CID 83009316
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43781331
4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine
CID 43761485
N-[1-(5-bromofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210586
1-(furan-2-yl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43776740
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472055

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210012) is N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine is Cc1c(C(C)NC2(C(F)(F)F)CC2)oc2ccccc12.
What is the InChIKey of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is TVAACQRCFKFSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-9-11-5-3-4-6-12(11)20-13(9)10(2)19-14(7-8-14)15(16,17)18/h3-6,10,19H,7-8H2,1-2H3.
What are the key properties of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 283.29 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).