(2S)-N-methyl-1-[3-[4-(trifluoromethyl)phenoxy]phenyl]propan-2-amine

C17H18F3NO — CID 174662379

IUPAC(2S)-N-methyl-1-[3-[4-(trifluoromethyl)phenoxy]phenyl]propan-2-amine
SMILESCN[C@@H](C)Cc1cccc(Oc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H18F3NO/c1-12(21-2)10-13-4-3-5-16(11-13)22-15-8-6-14(7-9-15)17(18,19)20/h3-9,11-12,21H,10H2,1-2H3/t12-/m0/s1
InChIKeyZZLJMIBODZYUNK-LBPRGKRZSA-N
MW309.33 g/mol
LogP4.65
Rot. Bonds5

About (2S)-N-methyl-1-[3-[4-(trifluoromethyl)phenoxy]phenyl]propan-2-amine

(2S)-N-methyl-1-[3-[4-(trifluoromethyl)phenoxy]phenyl]propan-2-amine (PubChem CID 174662379) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is (2S)-N-methyl-1-[3-[4-(trifluoromethyl)phenoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-N-methyl-1-[3-[4-(trifluoromethyl)phenoxy]phenyl]propan-2-amine
PubChem CID174662379
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name(2S)-N-methyl-1-[3-[4-(trifluoromethyl)phenoxy]phenyl]propan-2-amine
SMILESCN[C@@H](C)Cc1cccc(Oc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H18F3NO/c1-12(21-2)10-13-4-3-5-16(11-13)22-15-8-6-14(7-9-15)17(18,19)20/h3-9,11-12,21H,10H2,1-2H3/t12-/m0/s1
InChIKeyZZLJMIBODZYUNK-LBPRGKRZSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-methyl-1-[3-[4-(trifluoromethyl)phenoxy]phenyl]propan-2-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-(3-ethoxyphenyl)-N-methylpropan-2-amine
CID 547093
(2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine
CID 56989773
1-phenoxy-3-[[(2S)-3,3,3-trifluoro-2-[4-(trifluoromethyl)phenyl]propoxy]methyl]benzene
CID 88526871
4-[3-(2-aminopropyl)phenoxy]aniline
CID 116996628
N-methyl-1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine
CID 84728944
1-ethoxy-4-[1,1,1-trifluoro-3-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]propan-2-yl]benzene
CID 14580816
1-(2-methylbutyl)-3-phenoxybenzene
CID 54097168
N,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 142071235
1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622
N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 142170744
1-(difluoromethoxy)-4-[2-[3-[4-(difluoromethoxy)phenyl]-3-methyl-1-(3-phenoxyphenyl)pentan-2-yl]oxy-3-methyl-1-(3-phenoxyphenyl)pentan-3-yl]benzene
CID 152671772

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-[3-[4-(trifluoromethyl)phenoxy]phenyl]propan-2-amine?
The IUPAC name of (2S)-N-methyl-1-[3-[4-(trifluoromethyl)phenoxy]phenyl]propan-2-amine (CID 174662379) is (2S)-N-methyl-1-[3-[4-(trifluoromethyl)phenoxy]phenyl]propan-2-amine.
What is the SMILES notation for (2S)-N-methyl-1-[3-[4-(trifluoromethyl)phenoxy]phenyl]propan-2-amine?
The canonical SMILES for (2S)-N-methyl-1-[3-[4-(trifluoromethyl)phenoxy]phenyl]propan-2-amine is CN[C@@H](C)Cc1cccc(Oc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of (2S)-N-methyl-1-[3-[4-(trifluoromethyl)phenoxy]phenyl]propan-2-amine?
The InChIKey is ZZLJMIBODZYUNK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-12(21-2)10-13-4-3-5-16(11-13)22-15-8-6-14(7-9-15)17(18,19)20/h3-9,11-12,21H,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-N-methyl-1-[3-[4-(trifluoromethyl)phenoxy]phenyl]propan-2-amine?
(2S)-N-methyl-1-[3-[4-(trifluoromethyl)phenoxy]phenyl]propan-2-amine has a molecular weight of 309.33 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-[3-[4-(trifluoromethyl)phenoxy]phenyl]propan-2-amine is sourced from PubChem (CID 174662379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).