N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine

C14H18F3NO — CID 107105216

IUPACN-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H18F3NO/c1-2-6-18-9-11-8-13(11)10-4-3-5-12(7-10)19-14(15,16)17/h3-5,7,11,13,18H,2,6,8-9H2,1H3
InChIKeySJFPYVSMZPIINV-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.69
Rot. Bonds6

About N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine

N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine (PubChem CID 107105216) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine
PubChem CID107105216
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H18F3NO/c1-2-6-18-9-11-8-13(11)10-4-3-5-12(7-10)19-14(15,16)17/h3-5,7,11,13,18H,2,6,8-9H2,1H3
InChIKeySJFPYVSMZPIINV-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine (CID 107105216) is N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine is CCCNCC1CC1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine?
The InChIKey is SJFPYVSMZPIINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-2-6-18-9-11-8-13(11)10-4-3-5-12(7-10)19-14(15,16)17/h3-5,7,11,13,18H,2,6,8-9H2,1H3.
What are the key properties of N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine?
N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine has a molecular weight of 273.30 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 107105216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).