N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine

C16H24F3N — CID 83050807

IUPACN-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine
SMILESCCCNC(CCC)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H24F3N/c1-4-7-15(20-10-5-2)12(3)13-8-6-9-14(11-13)16(17,18)19/h6,8-9,11-12,15,20H,4-5,7,10H2,1-3H3
InChIKeyRRFCQUPLULZCEU-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.98
Rot. Bonds7

About N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine

N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine (PubChem CID 83050807) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine.

Molecular Properties

Compound NameN-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine
PubChem CID83050807
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC NameN-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine
SMILESCCCNC(CCC)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H24F3N/c1-4-7-15(20-10-5-2)12(3)13-8-6-9-14(11-13)16(17,18)19/h6,8-9,11-12,15,20H,4-5,7,10H2,1-3H3
InChIKeyRRFCQUPLULZCEU-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 60819147
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79178039
N-[2-(2-methylpropylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64610296
N-ethyl-2-[4-(trifluoromethyl)phenyl]hexan-3-amine
CID 83051217
N-[2-butan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64612803
N-[6-bicyclo[3.1.0]hexanyl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115850627
N-ethyl-2-(3-fluorophenyl)hexan-3-amine
CID 83051952
N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 60996965
N-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115850651
4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141501
N-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81015140
2-(3,5-dimethylphenyl)-N-propylhexan-3-amine
CID 83050812

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine?
The IUPAC name of N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine (CID 83050807) is N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine.
What is the SMILES notation for N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine?
The canonical SMILES for N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine is CCCNC(CCC)C(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine?
The InChIKey is RRFCQUPLULZCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-4-7-15(20-10-5-2)12(3)13-8-6-9-14(11-13)16(17,18)19/h6,8-9,11-12,15,20H,4-5,7,10H2,1-3H3.
What are the key properties of N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine?
N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine has a molecular weight of 287.37 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine is sourced from PubChem (CID 83050807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).