N-(cyclopropylmethyl)-3-[1-(trifluoromethyl)cyclopropyl]aniline

C14H16F3N — CID 167360160

IUPACN-(cyclopropylmethyl)-3-[1-(trifluoromethyl)cyclopropyl]aniline
SMILESFC(F)(F)C1(c2cccc(NCC3CC3)c2)CC1
InChIInChI=1S/C14H16F3N/c15-14(16,17)13(6-7-13)11-2-1-3-12(8-11)18-9-10-4-5-10/h1-3,8,10,18H,4-7,9H2
InChIKeyJYBWWNUGILOVAZ-UHFFFAOYSA-N
MW255.28 g/mol
LogP4.10
Rot. Bonds4

About N-(cyclopropylmethyl)-3-[1-(trifluoromethyl)cyclopropyl]aniline

N-(cyclopropylmethyl)-3-[1-(trifluoromethyl)cyclopropyl]aniline (PubChem CID 167360160) has the molecular formula C14H16F3N and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[1-(trifluoromethyl)cyclopropyl]aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[1-(trifluoromethyl)cyclopropyl]aniline
PubChem CID167360160
Molecular FormulaC14H16F3N
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC NameN-(cyclopropylmethyl)-3-[1-(trifluoromethyl)cyclopropyl]aniline
SMILESFC(F)(F)C1(c2cccc(NCC3CC3)c2)CC1
InChIInChI=1S/C14H16F3N/c15-14(16,17)13(6-7-13)11-2-1-3-12(8-11)18-9-10-4-5-10/h1-3,8,10,18H,4-7,9H2
InChIKeyJYBWWNUGILOVAZ-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[1-(trifluoromethyl)cyclopropyl]aniline?
The IUPAC name of N-(cyclopropylmethyl)-3-[1-(trifluoromethyl)cyclopropyl]aniline (CID 167360160) is N-(cyclopropylmethyl)-3-[1-(trifluoromethyl)cyclopropyl]aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[1-(trifluoromethyl)cyclopropyl]aniline?
The canonical SMILES for N-(cyclopropylmethyl)-3-[1-(trifluoromethyl)cyclopropyl]aniline is FC(F)(F)C1(c2cccc(NCC3CC3)c2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[1-(trifluoromethyl)cyclopropyl]aniline?
The InChIKey is JYBWWNUGILOVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N/c15-14(16,17)13(6-7-13)11-2-1-3-12(8-11)18-9-10-4-5-10/h1-3,8,10,18H,4-7,9H2.
What are the key properties of N-(cyclopropylmethyl)-3-[1-(trifluoromethyl)cyclopropyl]aniline?
N-(cyclopropylmethyl)-3-[1-(trifluoromethyl)cyclopropyl]aniline has a molecular weight of 255.28 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[1-(trifluoromethyl)cyclopropyl]aniline is sourced from PubChem (CID 167360160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).