2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine

C14H21FN2O2 — CID 103540653

IUPAC2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine
SMILESCOC1CN(c2ccc(CCN)cc2F)CC1OC
InChIInChI=1S/C14H21FN2O2/c1-18-13-8-17(9-14(13)19-2)12-4-3-10(5-6-16)7-11(12)15/h3-4,7,13-14H,5-6,8-9,16H2,1-2H3
InChIKeyKPANXYDKDDOEBN-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.18
Rot. Bonds5

About 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine

2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine (PubChem CID 103540653) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine
PubChem CID103540653
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine
SMILESCOC1CN(c2ccc(CCN)cc2F)CC1OC
InChIInChI=1S/C14H21FN2O2/c1-18-13-8-17(9-14(13)19-2)12-4-3-10(5-6-16)7-11(12)15/h3-4,7,13-14H,5-6,8-9,16H2,1-2H3
InChIKeyKPANXYDKDDOEBN-UHFFFAOYSA-N
XLogP1.18
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluoro-4-morpholin-4-ylphenyl)ethanamine
CID 63784903
[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 103530728
[4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine
CID 43122266
2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]ethanamine
CID 63783750
[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine
CID 102955941
N-[[3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 102961339
[2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine
CID 114016674
2-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanamine
CID 55236575
4-[4-(2-aminoethyl)-2-fluorophenyl]piperazine-1-carboxylic acid
CID 130302997
2-(3,4-dimethoxypyrrolidin-1-yl)-4,6-difluoroaniline
CID 103530569
2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]ethanamine
CID 63787034
[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine
CID 66392437

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine?
The IUPAC name of 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine (CID 103540653) is 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine?
The canonical SMILES for 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine is COC1CN(c2ccc(CCN)cc2F)CC1OC.
What is the InChIKey of 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine?
The InChIKey is KPANXYDKDDOEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-18-13-8-17(9-14(13)19-2)12-4-3-10(5-6-16)7-11(12)15/h3-4,7,13-14H,5-6,8-9,16H2,1-2H3.
What are the key properties of 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine?
2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine has a molecular weight of 268.33 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 103540653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).