N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine

C15H22F3NO — CID 115832666

IUPACN-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine
SMILESCCCCC(NCCC)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-3-5-6-14(19-11-4-2)12-7-9-13(10-8-12)20-15(16,17)18/h7-10,14,19H,3-6,11H2,1-2H3
InChIKeyDNXSBMJWAHZNKG-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.82
Rot. Bonds8

About N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine

N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine (PubChem CID 115832666) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine.

Molecular Properties

Compound NameN-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine
PubChem CID115832666
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC NameN-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine
SMILESCCCCC(NCCC)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-3-5-6-14(19-11-4-2)12-7-9-13(10-8-12)20-15(16,17)18/h7-10,14,19H,3-6,11H2,1-2H3
InChIKeyDNXSBMJWAHZNKG-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 115782110
3-(propylamino)-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 65235458
N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine
CID 115837166
1-(4-ethoxyphenyl)-N-propyloctan-1-amine
CID 43495169
1-[4-(trifluoromethoxy)phenyl]butylhydrazine
CID 105282256
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine
CID 115832612
1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161012
N-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
CID 104987768
N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
CID 105039774
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
N-ethyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-amine
CID 115854010

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine?
The IUPAC name of N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine (CID 115832666) is N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine.
What is the SMILES notation for N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine?
The canonical SMILES for N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine is CCCCC(NCCC)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine?
The InChIKey is DNXSBMJWAHZNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-3-5-6-14(19-11-4-2)12-7-9-13(10-8-12)20-15(16,17)18/h7-10,14,19H,3-6,11H2,1-2H3.
What are the key properties of N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine?
N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine is sourced from PubChem (CID 115832666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).