trans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate

C15H20FNO2 — CID 66658187

IUPACtrans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@H]1CCC[C@@H]1NCc1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-2-19-15(18)13-4-3-5-14(13)17-10-11-6-8-12(16)9-7-11/h6-9,13-14,17H,2-5,10H2,1H3/t13-,14-/m0/s1
InChIKeyJJZRERDJXSZNIT-KBPBESRZSA-N
MW265.33 g/mol
LogP2.65
Rot. Bonds5

About trans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate

trans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate (PubChem CID 66658187) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is trans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate
PubChem CID66658187
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nametrans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@H]1CCC[C@@H]1NCc1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-2-19-15(18)13-4-3-5-14(13)17-10-11-6-8-12(16)9-7-11/h6-9,13-14,17H,2-5,10H2,1H3/t13-,14-/m0/s1
InChIKeyJJZRERDJXSZNIT-KBPBESRZSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-[(4-fluorophenyl)methylamino]tricyclo[5.3.1.13,9]dodecane-4-carboxylate
CID 123964385
cis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate
CID 101135573
methyl 2-(benzylamino)cyclohexane-1-carboxylate
CID 171324800
ethyl (1S,2R,3S,4R)-3-[(4-fluorophenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylate
CID 66658077
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 18660068
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 103917287
cis-ethyl (1S,2R)-2-(benzylamino)-5,5-difluorocyclohexane-1-carboxylate
CID 70818344
ethyl 2-(benzylamino)-5,5-difluorocyclohexane-1-carboxylate
CID 70818349
acetic acid;acetonitrile;ethyl 2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate;ethyl 2-[(4-fluorophenyl)methylamino]cyclopentene-1-carboxylate;ethyl 2-oxocyclopentane-1-carboxylate;(4-fluorophenyl)methanamine;methane
CID 158742337
(1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 11920641
cis-ethyl (1R,2S)-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]cyclopentane-1-carboxylate
CID 135033787
methyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate
CID 71117303

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate?
The IUPAC name of trans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate (CID 66658187) is trans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate?
The canonical SMILES for trans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate is CCOC(=O)[C@H]1CCC[C@@H]1NCc1ccc(F)cc1.
What is the InChIKey of trans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate?
The InChIKey is JJZRERDJXSZNIT-KBPBESRZSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-19-15(18)13-4-3-5-14(13)17-10-11-6-8-12(16)9-7-11/h6-9,13-14,17H,2-5,10H2,1H3/t13-,14-/m0/s1.
What are the key properties of trans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate?
trans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate is sourced from PubChem (CID 66658187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).