1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethylpyrrolidin-3-amine

C14H23FN2 — CID 163683081

IUPAC1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC1=C(CN2CCC(N(C)C)C2)C(F)=CCC1
InChIInChI=1S/C14H23FN2/c1-11-5-4-6-14(15)13(11)10-17-8-7-12(9-17)16(2)3/h6,12H,4-5,7-10H2,1-3H3
InChIKeyJMLWJTUDZVXGEA-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.59
Rot. Bonds3

About 1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethylpyrrolidin-3-amine

1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 163683081) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID163683081
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC1=C(CN2CCC(N(C)C)C2)C(F)=CCC1
InChIInChI=1S/C14H23FN2/c1-11-5-4-6-14(15)13(11)10-17-8-7-12(9-17)16(2)3/h6,12H,4-5,7-10H2,1-3H3
InChIKeyJMLWJTUDZVXGEA-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethylpyrrolidin-3-amine (CID 163683081) is 1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethylpyrrolidin-3-amine is CC1=C(CN2CCC(N(C)C)C2)C(F)=CCC1.
What is the InChIKey of 1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is JMLWJTUDZVXGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-11-5-4-6-14(15)13(11)10-17-8-7-12(9-17)16(2)3/h6,12H,4-5,7-10H2,1-3H3.
What are the key properties of 1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethylpyrrolidin-3-amine?
1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 238.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 163683081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).