N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine

C16H21F3N2 — CID 61232377

IUPACN-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C1CC2CCC(C1)N2
InChIInChI=1S/C16H21F3N2/c1-21(15-8-13-6-7-14(9-15)20-13)10-11-2-4-12(5-3-11)16(17,18)19/h2-5,13-15,20H,6-10H2,1H3
InChIKeyIWSLYKNRVLBKSY-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.42
Rot. Bonds3

About N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61232377) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61232377
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC NameN-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C1CC2CCC(C1)N2
InChIInChI=1S/C16H21F3N2/c1-21(15-8-13-6-7-14(9-15)20-13)10-11-2-4-12(5-3-11)16(17,18)19/h2-5,13-15,20H,6-10H2,1H3
InChIKeyIWSLYKNRVLBKSY-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 43607110
N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 2173507
N-[(3-chloro-4-methylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836502
N-[(4-ethoxy-3-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836496
N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 104869195
N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66133908
N-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62096006
N-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 120836574
N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 120836616
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]oxolan-2-one
CID 47020410
3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65145739
N-[(2-bromo-6-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 120836431

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 61232377) is N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine is CN(Cc1ccc(C(F)(F)F)cc1)C1CC2CCC(C1)N2.
What is the InChIKey of N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is IWSLYKNRVLBKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c1-21(15-8-13-6-7-14(9-15)20-13)10-11-2-4-12(5-3-11)16(17,18)19/h2-5,13-15,20H,6-10H2,1H3.
What are the key properties of N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 298.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61232377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).