N-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine

C16H22F3N — CID 104987546

IUPACN-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine
SMILESC=CCCC(Cc1ccc(C(F)(F)F)cc1)NCCC
InChIInChI=1S/C16H22F3N/c1-3-5-6-15(20-11-4-2)12-13-7-9-14(10-8-13)16(17,18)19/h3,7-10,15,20H,1,4-6,11-12H2,2H3
InChIKeySOQUQEBENVXSBZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.58
Rot. Bonds8

About N-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine

N-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine (PubChem CID 104987546) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine
PubChem CID104987546
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine
SMILESC=CCCC(Cc1ccc(C(F)(F)F)cc1)NCCC
InChIInChI=1S/C16H22F3N/c1-3-5-6-15(20-11-4-2)12-13-7-9-14(10-8-13)16(17,18)19/h3,7-10,15,20H,1,4-6,11-12H2,2H3
InChIKeySOQUQEBENVXSBZ-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine?
The IUPAC name of N-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine (CID 104987546) is N-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine.
What is the SMILES notation for N-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine?
The canonical SMILES for N-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine is C=CCCC(Cc1ccc(C(F)(F)F)cc1)NCCC.
What is the InChIKey of N-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine?
The InChIKey is SOQUQEBENVXSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-3-5-6-15(20-11-4-2)12-13-7-9-14(10-8-13)16(17,18)19/h3,7-10,15,20H,1,4-6,11-12H2,2H3.
What are the key properties of N-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine?
N-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine has a molecular weight of 285.35 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine is sourced from PubChem (CID 104987546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).