1-[1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopropyl]ethanamine

C14H15F3N2 — CID 117424154

IUPAC1-[1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc3[nH]c(C(F)(F)F)cc23)CC1
InChIInChI=1S/C14H15F3N2/c1-8(18)13(5-6-13)10-3-2-4-11-9(10)7-12(19-11)14(15,16)17/h2-4,7-8,19H,5-6,18H2,1H3
InChIKeyIKZOJCHWVDPFDQ-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.57
Rot. Bonds2

About 1-[1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopropyl]ethanamine

1-[1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopropyl]ethanamine (PubChem CID 117424154) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-[1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopropyl]ethanamine
PubChem CID117424154
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name1-[1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc3[nH]c(C(F)(F)F)cc23)CC1
InChIInChI=1S/C14H15F3N2/c1-8(18)13(5-6-13)10-3-2-4-11-9(10)7-12(19-11)14(15,16)17/h2-4,7-8,19H,5-6,18H2,1H3
InChIKeyIKZOJCHWVDPFDQ-UHFFFAOYSA-N
XLogP3.57
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopentan-1-amine
CID 117424144
1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclohexan-1-amine
CID 117453561
2-(trifluoromethyl)-1H-indol-4-ol
CID 67244990
1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine
CID 117398469
[2-(trifluoromethyl)-1H-indol-4-yl]methanol
CID 84680774
1-[1-(4-chloro-2-methyl-1H-indol-5-yl)cyclopropyl]ethanamine
CID 117375026
2-[1-(1-aminoethyl)cyclopropyl]-5-(trifluoromethyl)phenol
CID 117364496
1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine
CID 117330234
1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine
CID 117449532
1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine
CID 117388142
1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117327900
2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline
CID 117118396

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopropyl]ethanamine (CID 117424154) is 1-[1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopropyl]ethanamine is CC(N)C1(c2cccc3[nH]c(C(F)(F)F)cc23)CC1.
What is the InChIKey of 1-[1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopropyl]ethanamine?
The InChIKey is IKZOJCHWVDPFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-8(18)13(5-6-13)10-3-2-4-11-9(10)7-12(19-11)14(15,16)17/h2-4,7-8,19H,5-6,18H2,1H3.
What are the key properties of 1-[1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopropyl]ethanamine?
1-[1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopropyl]ethanamine has a molecular weight of 268.28 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopropyl]ethanamine is sourced from PubChem (CID 117424154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).