[2-propyl-1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine

C14H18F3N — CID 156785365

IUPAC[2-propyl-1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine
SMILESCCCC1CC1(CN)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-2-5-10-8-13(10,9-18)11-6-3-4-7-12(11)14(15,16)17/h3-4,6-7,10H,2,5,8-9,18H2,1H3
InChIKeySDDFMUFRJYKRTM-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.72
Rot. Bonds4

About [2-propyl-1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine

[2-propyl-1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine (PubChem CID 156785365) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is [2-propyl-1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[2-propyl-1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine
PubChem CID156785365
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name[2-propyl-1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine
SMILESCCCC1CC1(CN)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-2-5-10-8-13(10,9-18)11-6-3-4-7-12(11)14(15,16)17/h3-4,6-7,10H,2,5,8-9,18H2,1H3
InChIKeySDDFMUFRJYKRTM-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-propyl-1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The IUPAC name of [2-propyl-1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine (CID 156785365) is [2-propyl-1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [2-propyl-1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [2-propyl-1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine is CCCC1CC1(CN)c1ccccc1C(F)(F)F.
What is the InChIKey of [2-propyl-1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The InChIKey is SDDFMUFRJYKRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-2-5-10-8-13(10,9-18)11-6-3-4-7-12(11)14(15,16)17/h3-4,6-7,10H,2,5,8-9,18H2,1H3.
What are the key properties of [2-propyl-1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
[2-propyl-1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine has a molecular weight of 257.30 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propyl-1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 156785365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).