N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine

C13H19FN2O — CID 115118835

IUPACN-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine
SMILESCCOc1ccc(CNC2CCNC2)cc1F
InChIInChI=1S/C13H19FN2O/c1-2-17-13-4-3-10(7-12(13)14)8-16-11-5-6-15-9-11/h3-4,7,11,15-16H,2,5-6,8-9H2,1H3
InChIKeyKKLDMCVIVAECCK-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.68
Rot. Bonds5

About N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine

N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine (PubChem CID 115118835) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine
PubChem CID115118835
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine
SMILESCCOc1ccc(CNC2CCNC2)cc1F
InChIInChI=1S/C13H19FN2O/c1-2-17-13-4-3-10(7-12(13)14)8-16-11-5-6-15-9-11/h3-4,7,11,15-16H,2,5-6,8-9H2,1H3
InChIKeyKKLDMCVIVAECCK-UHFFFAOYSA-N
XLogP1.68
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine
CID 82291965
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine
CID 115118227
(3S)-N-[(4-ethoxy-3-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 124888646
N-[[4-(2-ethylbutoxy)-3-fluorophenyl]methyl]cyclopropanamine
CID 107688315
3-[(4-ethoxy-3-fluorophenyl)methyl]azetidine
CID 82283901
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 107688044
(3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride
CID 140532848
N-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 115209327
N-[(3,4-difluorophenyl)methyl]azepan-4-amine
CID 103981875
N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 107688280
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 61169019
N-[(4-aminophenyl)methyl]pyrrolidin-3-amine
CID 19853352

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine (CID 115118835) is N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine is CCOc1ccc(CNC2CCNC2)cc1F.
What is the InChIKey of N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine?
The InChIKey is KKLDMCVIVAECCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-2-17-13-4-3-10(7-12(13)14)8-16-11-5-6-15-9-11/h3-4,7,11,15-16H,2,5-6,8-9H2,1H3.
What are the key properties of N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine?
N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine has a molecular weight of 238.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 115118835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).