N-methyl-1-[(1R,2S)-1-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-2-yl]methanamine

C18H18F3NO — CID 14595987

IUPACN-methyl-1-[(1R,2S)-1-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-2-yl]methanamine
SMILESCNC[C@@H]1Cc2ccccc2[C@@H]1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO/c1-22-11-13-10-12-4-2-3-5-16(12)17(13)23-15-8-6-14(7-9-15)18(19,20)21/h2-9,13,17,22H,10-11H2,1H3/t13-,17+/m0/s1
InChIKeyBDCMARKCSKLIKU-SUMWQHHRSA-N
MW321.34 g/mol
LogP4.22
Rot. Bonds4

About N-methyl-1-[(1R,2S)-1-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-2-yl]methanamine

N-methyl-1-[(1R,2S)-1-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-2-yl]methanamine (PubChem CID 14595987) has the molecular formula C18H18F3NO and a molecular weight of 321.34 g/mol. Its IUPAC name is N-methyl-1-[(1R,2S)-1-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1R,2S)-1-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-2-yl]methanamine
PubChem CID14595987
Molecular FormulaC18H18F3NO
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC NameN-methyl-1-[(1R,2S)-1-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-2-yl]methanamine
SMILESCNC[C@@H]1Cc2ccccc2[C@@H]1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO/c1-22-11-13-10-12-4-2-3-5-16(12)17(13)23-15-8-6-14(7-9-15)18(19,20)21/h2-9,13,17,22H,10-11H2,1H3/t13-,17+/m0/s1
InChIKeyBDCMARKCSKLIKU-SUMWQHHRSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[(1R,2S)-1-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-2-yl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1R,2S)-1-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-2-yl]methanamine?
The IUPAC name of N-methyl-1-[(1R,2S)-1-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-2-yl]methanamine (CID 14595987) is N-methyl-1-[(1R,2S)-1-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(1R,2S)-1-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[(1R,2S)-1-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-2-yl]methanamine is CNC[C@@H]1Cc2ccccc2[C@@H]1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-[(1R,2S)-1-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-2-yl]methanamine?
The InChIKey is BDCMARKCSKLIKU-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H18F3NO/c1-22-11-13-10-12-4-2-3-5-16(12)17(13)23-15-8-6-14(7-9-15)18(19,20)21/h2-9,13,17,22H,10-11H2,1H3/t13-,17+/m0/s1.
What are the key properties of N-methyl-1-[(1R,2S)-1-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-2-yl]methanamine?
N-methyl-1-[(1R,2S)-1-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-2-yl]methanamine has a molecular weight of 321.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1R,2S)-1-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-2-yl]methanamine is sourced from PubChem (CID 14595987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).