methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate

C16H23FN2O2 — CID 79572538

IUPACmethyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCN(C)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-19(14-7-3-6-13(17)11-14)10-8-12-5-4-9-16(12,18)15(20)21-2/h3,6-7,11-12H,4-5,8-10,18H2,1-2H3
InChIKeyQBXGOKUVMNPVLO-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.32
Rot. Bonds5

About methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate

methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate (PubChem CID 79572538) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate
PubChem CID79572538
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Namemethyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCN(C)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-19(14-7-3-6-13(17)11-14)10-8-12-5-4-9-16(12,18)15(20)21-2/h3,6-7,11-12H,4-5,8-10,18H2,1-2H3
InChIKeyQBXGOKUVMNPVLO-UHFFFAOYSA-N
XLogP2.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide
CID 79564155
methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate
CID 67920649
methyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79572326
methyl 1-amino-2-[2-(3,4-difluorophenyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79587544
methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79858651
methyl 1-amino-2-[2-(3-methoxyphenyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79586985
2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide
CID 63054343
1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone
CID 104750304
methyl 1-amino-2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79565663
N-[2-(azetidin-3-yl)ethyl]-3-fluoro-N-methylaniline
CID 116679881
N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085371
methyl 2-acetamido-3-(3-fluoro-N-methylanilino)propanoate
CID 65473627

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate (CID 79572538) is methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate is COC(=O)C1(N)CCCC1CCN(C)c1cccc(F)c1.
What is the InChIKey of methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate?
The InChIKey is QBXGOKUVMNPVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-19(14-7-3-6-13(17)11-14)10-8-12-5-4-9-16(12,18)15(20)21-2/h3,6-7,11-12H,4-5,8-10,18H2,1-2H3.
What are the key properties of methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate?
methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate has a molecular weight of 294.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79572538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).