N,N-dimethyl-1-[3-pyridin-3-yl-6-(trifluoromethoxy)-1H-inden-2-yl]methanamine

C18H17F3N2O — CID 11602435

IUPACN,N-dimethyl-1-[3-pyridin-3-yl-6-(trifluoromethoxy)-1H-inden-2-yl]methanamine
SMILESCN(C)CC1=C(c2cccnc2)c2ccc(OC(F)(F)F)cc2C1
InChIInChI=1S/C18H17F3N2O/c1-23(2)11-14-8-13-9-15(24-18(19,20)21)5-6-16(13)17(14)12-4-3-7-22-10-12/h3-7,9-10H,8,11H2,1-2H3
InChIKeyVQEYEIUTACZWBP-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.90
Rot. Bonds4

About N,N-dimethyl-1-[3-pyridin-3-yl-6-(trifluoromethoxy)-1H-inden-2-yl]methanamine

N,N-dimethyl-1-[3-pyridin-3-yl-6-(trifluoromethoxy)-1H-inden-2-yl]methanamine (PubChem CID 11602435) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-pyridin-3-yl-6-(trifluoromethoxy)-1H-inden-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-pyridin-3-yl-6-(trifluoromethoxy)-1H-inden-2-yl]methanamine
PubChem CID11602435
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC NameN,N-dimethyl-1-[3-pyridin-3-yl-6-(trifluoromethoxy)-1H-inden-2-yl]methanamine
SMILESCN(C)CC1=C(c2cccnc2)c2ccc(OC(F)(F)F)cc2C1
InChIInChI=1S/C18H17F3N2O/c1-23(2)11-14-8-13-9-15(24-18(19,20)21)5-6-16(13)17(14)12-4-3-7-22-10-12/h3-7,9-10H,8,11H2,1-2H3
InChIKeyVQEYEIUTACZWBP-UHFFFAOYSA-N
XLogP3.90
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methoxy-3-pyridin-3-yl-1H-inden-2-yl)-N,N-dimethylmethanamine
CID 11522580
2-[(dimethylamino)methyl]-1-pyridin-3-yl-5-(trifluoromethoxy)-2,3-dihydroinden-1-ol;5-(trifluoromethoxy)-2,3-dihydroinden-1-one;hydrochloride
CID 158057262
N,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 139942776
6-[3-(dimethylamino)propoxy]-3-phenyl-2-pyridin-3-ylinden-1-one;hydrochloride
CID 70314029
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
N-[3-chloro-4-[3-(trifluoromethoxy)phenyl]phenyl]-N-(pyridin-3-ylmethyl)cyclopropanesulfonamide
CID 68618591
N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 134003798
N,N-dimethyl-1-(2-pyridin-3-ylphenyl)methanamine
CID 90921130
3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 134626972
6-methoxy-3-(1-methylpyrazol-4-yl)-2-pyridin-3-ylinden-1-one
CID 177165682
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
(3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
CID 25129467

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-pyridin-3-yl-6-(trifluoromethoxy)-1H-inden-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[3-pyridin-3-yl-6-(trifluoromethoxy)-1H-inden-2-yl]methanamine (CID 11602435) is N,N-dimethyl-1-[3-pyridin-3-yl-6-(trifluoromethoxy)-1H-inden-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-pyridin-3-yl-6-(trifluoromethoxy)-1H-inden-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[3-pyridin-3-yl-6-(trifluoromethoxy)-1H-inden-2-yl]methanamine is CN(C)CC1=C(c2cccnc2)c2ccc(OC(F)(F)F)cc2C1.
What is the InChIKey of N,N-dimethyl-1-[3-pyridin-3-yl-6-(trifluoromethoxy)-1H-inden-2-yl]methanamine?
The InChIKey is VQEYEIUTACZWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c1-23(2)11-14-8-13-9-15(24-18(19,20)21)5-6-16(13)17(14)12-4-3-7-22-10-12/h3-7,9-10H,8,11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[3-pyridin-3-yl-6-(trifluoromethoxy)-1H-inden-2-yl]methanamine?
N,N-dimethyl-1-[3-pyridin-3-yl-6-(trifluoromethoxy)-1H-inden-2-yl]methanamine has a molecular weight of 334.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-pyridin-3-yl-6-(trifluoromethoxy)-1H-inden-2-yl]methanamine is sourced from PubChem (CID 11602435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).