5,5,5-trifluoro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine

C15H20F3N — CID 115517051

IUPAC5,5,5-trifluoro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine
SMILESNC(CCCC(F)(F)F)C1CCc2ccccc2C1
InChIInChI=1S/C15H20F3N/c16-15(17,18)9-3-6-14(19)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,13-14H,3,6-10,19H2
InChIKeyFMIVFPJWVIIIPY-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.85
Rot. Bonds4

About 5,5,5-trifluoro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine

5,5,5-trifluoro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine (PubChem CID 115517051) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine
PubChem CID115517051
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name5,5,5-trifluoro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine
SMILESNC(CCCC(F)(F)F)C1CCc2ccccc2C1
InChIInChI=1S/C15H20F3N/c16-15(17,18)9-3-6-14(19)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,13-14H,3,6-10,19H2
InChIKeyFMIVFPJWVIIIPY-UHFFFAOYSA-N
XLogP3.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Aminotetralin
CID 34677
2-(Trifluoromethyl)phenethylamine
CID 69883
4-Phenylcyclohexylamine
CID 29897
(S)-1,2,3,4-Tetrahydro-2-naphthylamine
CID 9964136
alpha-Methyl-2-naphthaleneethanamine
CID 10219723
9-Aminomethyl-9,10-dihydroanthracene
CID 10398175
1,2,3,4-Tetrahydronaphthalen-1-ylmethanamine
CID 11298132
9-(2-Aminopropyl)-9,10-dihydroanthracene
CID 10354158
9-(2-Aminoethyl)-9,10-dihydroanthracene
CID 44373221
1-(Naphthalen-1-YL)propan-2-amine
CID 413939
2-Aminobenzobicyclo(2.2.2.)octene
CID 85715
(2S)-4,4-bis(3-fluorophenyl)butan-2-amine
CID 9796261

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine (CID 115517051) is 5,5,5-trifluoro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine is NC(CCCC(F)(F)F)C1CCc2ccccc2C1.
What is the InChIKey of 5,5,5-trifluoro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine?
The InChIKey is FMIVFPJWVIIIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c16-15(17,18)9-3-6-14(19)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,13-14H,3,6-10,19H2.
What are the key properties of 5,5,5-trifluoro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine?
5,5,5-trifluoro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine is sourced from PubChem (CID 115517051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).