2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine

C14H20ClFN2O2 — CID 103531787

IUPAC2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
SMILESCOC1CN(C(CN)c2cc(F)cc(Cl)c2)CC1OC
InChIInChI=1S/C14H20ClFN2O2/c1-19-13-7-18(8-14(13)20-2)12(6-17)9-3-10(15)5-11(16)4-9/h3-5,12-14H,6-8,17H2,1-2H3
InChIKeyLZYLCDRPHAUELD-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.82
Rot. Bonds5

About 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine

2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine (PubChem CID 103531787) has the molecular formula C14H20ClFN2O2 and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
PubChem CID103531787
Molecular FormulaC14H20ClFN2O2
Molecular Weight302.78 g/mol
Exact Mass302.12
IUPAC Name2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
SMILESCOC1CN(C(CN)c2cc(F)cc(Cl)c2)CC1OC
InChIInChI=1S/C14H20ClFN2O2/c1-19-13-7-18(8-14(13)20-2)12(6-17)9-3-10(15)5-11(16)4-9/h3-5,12-14H,6-8,17H2,1-2H3
InChIKeyLZYLCDRPHAUELD-UHFFFAOYSA-N
XLogP1.82
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-5-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 114453224
2-(2,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531886
2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531860
2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 114453410
2-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531943
2-(3,5-difluorophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 106528795
(2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 124552555
2-(3,5-difluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine
CID 106528465
2-(3-bromophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531005
2-(3-chloro-5-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine
CID 114453514
2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964877
1-[2-amino-1-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465043

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine (CID 103531787) is 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine is COC1CN(C(CN)c2cc(F)cc(Cl)c2)CC1OC.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine?
The InChIKey is LZYLCDRPHAUELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2/c1-19-13-7-18(8-14(13)20-2)12(6-17)9-3-10(15)5-11(16)4-9/h3-5,12-14H,6-8,17H2,1-2H3.
What are the key properties of 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine?
2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine has a molecular weight of 302.78 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 103531787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).