N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine

C13H18F3NO — CID 62451818

IUPACN-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
SMILESCNCCCCCOc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-17-9-5-2-6-10-18-12-8-4-3-7-11(12)13(14,15)16/h3-4,7-8,17H,2,5-6,9-10H2,1H3
InChIKeyDPFOCSHMILWBGP-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.47
Rot. Bonds7

About N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine

N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine (PubChem CID 62451818) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine.

Molecular Properties

Compound NameN-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
PubChem CID62451818
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
SMILESCNCCCCCOc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-17-9-5-2-6-10-18-12-8-4-3-7-11(12)13(14,15)16/h3-4,7-8,17H,2,5-6,9-10H2,1H3
InChIKeyDPFOCSHMILWBGP-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

5-(2-fluorophenoxy)-N-methylpentan-1-amine
CID 62453005
N-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451276
5-(2-ethylphenoxy)-N-methylpentan-1-amine
CID 62486252
N-methyl-5-(2-phenylphenoxy)pentan-1-amine
CID 3079490
N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propan-1-amine
CID 13344556
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
5-(2-benzylphenoxy)-N-methylpentan-1-amine
CID 12660345
5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 62455061
5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine
CID 116690269
5-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 43793519
N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943530
5-(2,5-difluorophenoxy)-N-methylpentan-1-amine
CID 63273148

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine?
The IUPAC name of N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine (CID 62451818) is N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine.
What is the SMILES notation for N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine?
The canonical SMILES for N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine is CNCCCCCOc1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine?
The InChIKey is DPFOCSHMILWBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-17-9-5-2-6-10-18-12-8-4-3-7-11(12)13(14,15)16/h3-4,7-8,17H,2,5-6,9-10H2,1H3.
What are the key properties of N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine?
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine is sourced from PubChem (CID 62451818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).