N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine

C12H15F4NO — CID 102696977

IUPACN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine
SMILESCOC(C)CNCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C12H15F4NO/c1-8(18-2)6-17-7-9-3-4-10(13)5-11(9)12(14,15)16/h3-5,8,17H,6-7H2,1-2H3
InChIKeyVHNVNRMUQOZMDT-UHFFFAOYSA-N
MW265.25 g/mol
LogP2.97
Rot. Bonds5

About N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine (PubChem CID 102696977) has the molecular formula C12H15F4NO and a molecular weight of 265.25 g/mol. Its IUPAC name is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine
PubChem CID102696977
Molecular FormulaC12H15F4NO
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine
SMILESCOC(C)CNCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C12H15F4NO/c1-8(18-2)6-17-7-9-3-4-10(13)5-11(9)12(14,15)16/h3-5,8,17H,6-7H2,1-2H3
InChIKeyVHNVNRMUQOZMDT-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-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

1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol
CID 78927299
2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 114941536
2-methoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 102795122
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588751
N-[(2-fluorophenyl)methyl]-1-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 112731308
4-[(2-methoxypropylamino)methyl]benzene-1,3-diol
CID 102696377
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 81297245
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706350
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine
CID 113465470
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 78921852
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 78921861
2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102921100

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine?
The IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine (CID 102696977) is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine.
What is the SMILES notation for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine?
The canonical SMILES for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine is COC(C)CNCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine?
The InChIKey is VHNVNRMUQOZMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO/c1-8(18-2)6-17-7-9-3-4-10(13)5-11(9)12(14,15)16/h3-5,8,17H,6-7H2,1-2H3.
What are the key properties of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine?
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine has a molecular weight of 265.25 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine is sourced from PubChem (CID 102696977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).