[1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine

C14H21FN2O — CID 120837699

IUPAC[1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
SMILESCCOc1ccc(CN2CCC(CN)C2)cc1F
InChIInChI=1S/C14H21FN2O/c1-2-18-14-4-3-11(7-13(14)15)9-17-6-5-12(8-16)10-17/h3-4,7,12H,2,5-6,8-10,16H2,1H3
InChIKeyWWHZXXJOTVZVDY-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.01
Rot. Bonds5

About [1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine

[1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 120837699) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID120837699
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
SMILESCCOc1ccc(CN2CCC(CN)C2)cc1F
InChIInChI=1S/C14H21FN2O/c1-2-18-14-4-3-11(7-13(14)15)9-17-6-5-12(8-16)10-17/h3-4,7,12H,2,5-6,8-10,16H2,1H3
InChIKeyWWHZXXJOTVZVDY-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine
CID 120836290
1-[1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 120843364
[4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine
CID 120844436
1-[(4-ethoxy-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 120834084
[1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 81436670
2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843504
[1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 55146596
[1-[(3-bromo-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119917749
[(3S)-1-[(5-chloro-2-ethoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 171625000
[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 62994364
[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine
CID 62122086
3-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 63388157

Frequently Asked Questions

What is the IUPAC name of [1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine (CID 120837699) is [1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine is CCOc1ccc(CN2CCC(CN)C2)cc1F.
What is the InChIKey of [1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is WWHZXXJOTVZVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-2-18-14-4-3-11(7-13(14)15)9-17-6-5-12(8-16)10-17/h3-4,7,12H,2,5-6,8-10,16H2,1H3.
What are the key properties of [1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine?
[1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 252.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120837699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).