1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride

C15H24ClFN2 — CID 120838596

IUPAC1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
SMILESCCc1cccc(F)c1CN1CCC(CNC)C1.Cl
InChIInChI=1S/C15H23FN2.ClH/c1-3-13-5-4-6-15(16)14(13)11-18-8-7-12(10-18)9-17-2;/h4-6,12,17H,3,7-11H2,1-2H3;1H
InChIKeyMWOLLIYGEYWJFJ-UHFFFAOYSA-N
MW286.82 g/mol
LogP2.85
Rot. Bonds5

About 1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride

1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride (PubChem CID 120838596) has the molecular formula C15H24ClFN2 and a molecular weight of 286.82 g/mol. Its IUPAC name is 1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
PubChem CID120838596
Molecular FormulaC15H24ClFN2
Molecular Weight286.82 g/mol
Exact Mass286.16
IUPAC Name1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
SMILESCCc1cccc(F)c1CN1CCC(CNC)C1.Cl
InChIInChI=1S/C15H23FN2.ClH/c1-3-13-5-4-6-15(16)14(13)11-18-8-7-12(10-18)9-17-2;/h4-6,12,17H,3,7-11H2,1-2H3;1H
InChIKeyMWOLLIYGEYWJFJ-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836422
1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine
CID 120834571
1-[1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 81493001
1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838824
1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922702
1-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62512142
1-[1-[(3-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 82740318
(3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride
CID 120845639
1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115300011
1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 120838232
(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine
CID 120845888
ethane;1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrate
CID 145081526

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride (CID 120838596) is 1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride is CCc1cccc(F)c1CN1CCC(CNC)C1.Cl.
What is the InChIKey of 1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is MWOLLIYGEYWJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2.ClH/c1-3-13-5-4-6-15(16)14(13)11-18-8-7-12(10-18)9-17-2;/h4-6,12,17H,3,7-11H2,1-2H3;1H.
What are the key properties of 1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride?
1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 286.82 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 120838596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).