N-methyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine

C18H18F3N — CID 173158169

IUPACN-methyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(C(F)(F)F)c(N(C)C2CCc3ccccc32)c1
InChIInChI=1S/C18H18F3N/c1-12-7-9-15(18(19,20)21)17(11-12)22(2)16-10-8-13-5-3-4-6-14(13)16/h3-7,9,11,16H,8,10H2,1-2H3
InChIKeyXWWVQHMAVFRSQD-UHFFFAOYSA-N
MW305.34 g/mol
LogP5.14
Rot. Bonds2

About N-methyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine

N-methyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 173158169) has the molecular formula C18H18F3N and a molecular weight of 305.34 g/mol. Its IUPAC name is N-methyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID173158169
Molecular FormulaC18H18F3N
Molecular Weight305.34 g/mol
Exact Mass305.14
IUPAC NameN-methyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(C(F)(F)F)c(N(C)C2CCc3ccccc32)c1
InChIInChI=1S/C18H18F3N/c1-12-7-9-15(18(19,20)21)17(11-12)22(2)16-10-8-13-5-3-4-6-14(13)16/h3-7,9,11,16H,8,10H2,1-2H3
InChIKeyXWWVQHMAVFRSQD-UHFFFAOYSA-N
XLogP5.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.34
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(2,3-dihydro-1H-inden-1-yl)-N'-methylethane-1,2-diamine
CID 62682207
2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
CID 61067994
1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79742002
5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrimidin-2-amine
CID 99813703
N,N-dimethyl-6-[2-methyl-6-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 58173143
N'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 79646356
N-(2-bromo-4-methylphenyl)-2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
CID 36675023
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-methylphenyl)acetamide
CID 36674283
6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine
CID 133334138
1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene
CID 118269320
N-cyclopropyl-2-fluoro-N,5-dimethylaniline
CID 174823652
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 119929963

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine (CID 173158169) is N-methyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine is Cc1ccc(C(F)(F)F)c(N(C)C2CCc3ccccc32)c1.
What is the InChIKey of N-methyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XWWVQHMAVFRSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N/c1-12-7-9-15(18(19,20)21)17(11-12)22(2)16-10-8-13-5-3-4-6-14(13)16/h3-7,9,11,16H,8,10H2,1-2H3.
What are the key properties of N-methyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
N-methyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 305.34 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 173158169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).