[5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

C15H23FN2O — CID 117420275

IUPAC[5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCCc1cc(C2CC(CN)CN2C)c(OC)cc1F
InChIInChI=1S/C15H23FN2O/c1-4-11-6-12(15(19-3)7-13(11)16)14-5-10(8-17)9-18(14)2/h6-7,10,14H,4-5,8-9,17H2,1-3H3
InChIKeyNYDBFDBHSPCQIG-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.35
Rot. Bonds4

About [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117420275) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117420275
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCCc1cc(C2CC(CN)CN2C)c(OC)cc1F
InChIInChI=1S/C15H23FN2O/c1-4-11-6-12(15(19-3)7-13(11)16)14-5-10(8-17)9-18(14)2/h6-7,10,14H,4-5,8-9,17H2,1-3H3
InChIKeyNYDBFDBHSPCQIG-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-Phenyl-3-(5-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-2-methoxybenzyl)aminopiperidine
CID 15549736
(2S,3S)-N-[[2-methoxy-5-(1,1,1-trifluoropropan-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 44577989
N-((4''-fluoro-2''-methoxybiphenyl-3-yl)methyl)cyclopentanamine
CID 54586719
2-(4-Methoxyphenyl)-2-(pyrrolidin-1-yl)ethan-1-amine
CID 3158581
1-(1-ethylpyrrolidin-3-yl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 53508722
(1S)-N-[(2-fluoro-6-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine
CID 58035516
(1S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine
CID 58035584
2-(2-Methoxyphenyl)pyrrolidine
CID 3613985
[(2-Methoxy-5-methylphenyl)methyl](methyl)amine
CID 4962726
1-[(2-Methoxyphenyl)methyl]piperidin-4-amine
CID 12641839
2-(2-Ethoxyphenyl)pyrrolidine
CID 4426164
N-[[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1-methylpiperidin-4-amine
CID 175567972

Frequently Asked Questions

What is the IUPAC name of [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117420275) is [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is CCc1cc(C2CC(CN)CN2C)c(OC)cc1F.
What is the InChIKey of [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is NYDBFDBHSPCQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-4-11-6-12(15(19-3)7-13(11)16)14-5-10(8-17)9-18(14)2/h6-7,10,14H,4-5,8-9,17H2,1-3H3.
What are the key properties of [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 266.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117420275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).