2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C15H22F3NO2 — CID 62530806

IUPAC2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCOc1cccc(CC(CN)CCCOCC(F)(F)F)c1
InChIInChI=1S/C15H22F3NO2/c1-20-14-6-2-4-12(9-14)8-13(10-19)5-3-7-21-11-15(16,17)18/h2,4,6,9,13H,3,5,7-8,10-11,19H2,1H3
InChIKeyPUGZLBKBNIJFGW-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.17
Rot. Bonds9

About 2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine

2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 62530806) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID62530806
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCOc1cccc(CC(CN)CCCOCC(F)(F)F)c1
InChIInChI=1S/C15H22F3NO2/c1-20-14-6-2-4-12(9-14)8-13(10-19)5-3-7-21-11-15(16,17)18/h2,4,6,9,13H,3,5,7-8,10-11,19H2,1H3
InChIKeyPUGZLBKBNIJFGW-UHFFFAOYSA-N
XLogP3.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62528589
2-[(3-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62528398
4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62529202
1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214941
1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 70661162
2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 66058858
2-[(3-methoxyphenyl)methyl]-4-methylsulfonylbutan-1-amine
CID 62529808
5-(2-methoxyethoxy)-1-(3-methoxyphenyl)pentan-2-amine
CID 103414989
1-[2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)pentyl]-3-chlorobenzene
CID 66043122
1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene
CID 66041333
2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 62503999
5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine
CID 65180749

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 62530806) is 2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine is COc1cccc(CC(CN)CCCOCC(F)(F)F)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is PUGZLBKBNIJFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-20-14-6-2-4-12(9-14)8-13(10-19)5-3-7-21-11-15(16,17)18/h2,4,6,9,13H,3,5,7-8,10-11,19H2,1H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 305.34 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 62530806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).