N-ethyl-4,4,4-trifluoro-1-(1-phenylcyclopropyl)butan-1-amine

C15H20F3N — CID 64567436

IUPACN-ethyl-4,4,4-trifluoro-1-(1-phenylcyclopropyl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1(c2ccccc2)CC1
InChIInChI=1S/C15H20F3N/c1-2-19-13(8-9-15(16,17)18)14(10-11-14)12-6-4-3-5-7-12/h3-7,13,19H,2,8-11H2,1H3
InChIKeyPUESDRSHIRABGY-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.04
Rot. Bonds6

About N-ethyl-4,4,4-trifluoro-1-(1-phenylcyclopropyl)butan-1-amine

N-ethyl-4,4,4-trifluoro-1-(1-phenylcyclopropyl)butan-1-amine (PubChem CID 64567436) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(1-phenylcyclopropyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(1-phenylcyclopropyl)butan-1-amine
PubChem CID64567436
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(1-phenylcyclopropyl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1(c2ccccc2)CC1
InChIInChI=1S/C15H20F3N/c1-2-19-13(8-9-15(16,17)18)14(10-11-14)12-6-4-3-5-7-12/h3-7,13,19H,2,8-11H2,1H3
InChIKeyPUESDRSHIRABGY-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(1-phenylcyclopropyl)butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(1-phenylcyclopropyl)butan-1-amine (CID 64567436) is N-ethyl-4,4,4-trifluoro-1-(1-phenylcyclopropyl)butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(1-phenylcyclopropyl)butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(1-phenylcyclopropyl)butan-1-amine is CCNC(CCC(F)(F)F)C1(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(1-phenylcyclopropyl)butan-1-amine?
The InChIKey is PUESDRSHIRABGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-2-19-13(8-9-15(16,17)18)14(10-11-14)12-6-4-3-5-7-12/h3-7,13,19H,2,8-11H2,1H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(1-phenylcyclopropyl)butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-(1-phenylcyclopropyl)butan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(1-phenylcyclopropyl)butan-1-amine is sourced from PubChem (CID 64567436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).