N-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine

C13H18F3NO — CID 62451276

IUPACN-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine
SMILESCNCCCC(C)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-10(6-5-9-17-2)18-12-8-4-3-7-11(12)13(14,15)16/h3-4,7-8,10,17H,5-6,9H2,1-2H3
InChIKeySREQTGCBVCYBMS-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.47
Rot. Bonds6

About N-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine

N-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine (PubChem CID 62451276) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is N-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine
PubChem CID62451276
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine
SMILESCNCCCC(C)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-10(6-5-9-17-2)18-12-8-4-3-7-11(12)13(14,15)16/h3-4,7-8,10,17H,5-6,9H2,1-2H3
InChIKeySREQTGCBVCYBMS-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(trifluoromethyl)-2-undecan-2-yloxybenzene
CID 150002093
1-nonan-2-yloxy-2-(trifluoromethyl)benzene
CID 130445178
(3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine
CID 11565843
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451818
N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine
CID 62570990
methyl 3-[2-(trifluoromethyl)phenoxy]butanoate
CID 43536036
N-[3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl]butan-1-amine
CID 19025855
N-tert-butyl-4-(2-methylphenoxy)pentan-1-amine
CID 55076647
1-tert-butyl-2-pentan-2-yloxybenzene
CID 107888354
3-[5-chloro-2-(trifluoromethyl)phenoxy]-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 22489955
N-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 83046654
1-(3-chloro-1-phenylpropoxy)-2-(trifluoromethyl)benzene
CID 14519553

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine?
The IUPAC name of N-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine (CID 62451276) is N-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine.
What is the SMILES notation for N-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine?
The canonical SMILES for N-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine is CNCCCC(C)Oc1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine?
The InChIKey is SREQTGCBVCYBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-10(6-5-9-17-2)18-12-8-4-3-7-11(12)13(14,15)16/h3-4,7-8,10,17H,5-6,9H2,1-2H3.
What are the key properties of N-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine?
N-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine is sourced from PubChem (CID 62451276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).