N,N-dimethyl-2-[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]ethanamine

C19H20F3N5O — CID 158604721

IUPACN,N-dimethyl-2-[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]ethanamine
SMILESCN(C)CCn1nnc(-c2ccccc2Cc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C19H20F3N5O/c1-26(2)11-12-27-24-18(23-25-27)17-6-4-3-5-15(17)13-14-7-9-16(10-8-14)28-19(20,21)22/h3-10H,11-13H2,1-2H3
InChIKeyRXPXUOCFITUGOH-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.39
Rot. Bonds7

About N,N-dimethyl-2-[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]ethanamine

N,N-dimethyl-2-[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]ethanamine (PubChem CID 158604721) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]ethanamine
PubChem CID158604721
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC NameN,N-dimethyl-2-[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]ethanamine
SMILESCN(C)CCn1nnc(-c2ccccc2Cc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C19H20F3N5O/c1-26(2)11-12-27-24-18(23-25-27)17-6-4-3-5-15(17)13-14-7-9-16(10-8-14)28-19(20,21)22/h3-10H,11-13H2,1-2H3
InChIKeyRXPXUOCFITUGOH-UHFFFAOYSA-N
XLogP3.39
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[3-(dimethylamino)propyl]tetrazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]aniline
CID 142468197
3-(bromomethyl)pyridine;5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-2H-tetrazole;3-[[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine;hydrobromide
CID 158625242
N-[2-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]ethyl]acetamide
CID 146734891
3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine
CID 161232525
[1-methylsulfonyl-3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]azetidin-3-yl] methanesulfonate
CID 158194272
2-[5-[2-[(3,4-dichlorophenyl)methyl]phenyl]tetrazol-2-yl]ethanol
CID 162095401
2-[[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 67458560
1-[5-[2-[4-(trifluoromethoxy)anilino]phenyl]tetrazol-2-yl]propan-2-one
CID 163775591
3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyrrolidin-3-ol
CID 157096103
1-methylsulfonyl-3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyrrolidin-3-ol
CID 157096104
N-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 167242614
CID 160768879
CID 160768879

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]ethanamine (CID 158604721) is N,N-dimethyl-2-[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]ethanamine is CN(C)CCn1nnc(-c2ccccc2Cc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N,N-dimethyl-2-[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]ethanamine?
The InChIKey is RXPXUOCFITUGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-26(2)11-12-27-24-18(23-25-27)17-6-4-3-5-15(17)13-14-7-9-16(10-8-14)28-19(20,21)22/h3-10H,11-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]ethanamine?
N,N-dimethyl-2-[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]ethanamine has a molecular weight of 391.40 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]ethanamine is sourced from PubChem (CID 158604721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).