carbon dioxide;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

C16H21F3N2O2 — CID 158385847

IUPACcarbon dioxide;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCc1ccc(CN2CCC(N(C)C)C2)c(C(F)(F)F)c1.O=C=O
InChIInChI=1S/C15H21F3N2.CO2/c1-11-4-5-12(14(8-11)15(16,17)18)9-20-7-6-13(10-20)19(2)3;2-1-3/h4-5,8,13H,6-7,9-10H2,1-3H3;
InChIKeyGWJCZZXUQYBDCT-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.57
Rot. Bonds3

About carbon dioxide;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

carbon dioxide;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 158385847) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is carbon dioxide;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Namecarbon dioxide;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID158385847
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Namecarbon dioxide;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCc1ccc(CN2CCC(N(C)C)C2)c(C(F)(F)F)c1.O=C=O
InChIInChI=1S/C15H21F3N2.CO2/c1-11-4-5-12(14(8-11)15(16,17)18)9-20-7-6-13(10-20)19(2)3;2-1-3/h4-5,8,13H,6-7,9-10H2,1-3H3;
InChIKeyGWJCZZXUQYBDCT-UHFFFAOYSA-N
XLogP2.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]carbamate
CID 155699169
N,N-dimethyl-3-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 118714026
(2S,5R)-N,N,1-Trimethyl-5-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2-methaneamine
CID 132967020
Tert-butyl 2-ethenyl-5-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylate
CID 134960979
1-[[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 11582422
N-[3-(2,6-difluorophenyl)propyl]-N-[1-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylethyl]formamide
CID 23502669
2-Propan-2-yl-5-(trifluoromethyl)-1,3-dihydroisoindole
CID 57531008
3-Cyclobutyl-7-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 58278023
CID 58466032
CID 58466032
N,1-dimethyl-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 58563422
1-[[2,5-Dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 58563555
N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 58564601

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of carbon dioxide;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (CID 158385847) is carbon dioxide;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for carbon dioxide;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for carbon dioxide;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is Cc1ccc(CN2CCC(N(C)C)C2)c(C(F)(F)F)c1.O=C=O.
What is the InChIKey of carbon dioxide;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is GWJCZZXUQYBDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2.CO2/c1-11-4-5-12(14(8-11)15(16,17)18)9-20-7-6-13(10-20)19(2)3;2-1-3/h4-5,8,13H,6-7,9-10H2,1-3H3;.
What are the key properties of carbon dioxide;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
carbon dioxide;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 330.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 158385847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).