trans-(1S,2S)-2-(N-ethyl-4-fluoroanilino)cyclopentan-1-ol

C13H18FNO — CID 102734657

IUPACtrans-(1S,2S)-2-(N-ethyl-4-fluoroanilino)cyclopentan-1-ol
SMILESCCN(c1ccc(F)cc1)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C13H18FNO/c1-2-15(12-4-3-5-13(12)16)11-8-6-10(14)7-9-11/h6-9,12-13,16H,2-5H2,1H3/t12-,13-/m0/s1
InChIKeyVDTUHMBNHGQEHS-STQMWFEESA-N
MW223.29 g/mol
LogP2.57
Rot. Bonds3

About trans-(1S,2S)-2-(N-ethyl-4-fluoroanilino)cyclopentan-1-ol

trans-(1S,2S)-2-(N-ethyl-4-fluoroanilino)cyclopentan-1-ol (PubChem CID 102734657) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is trans-(1S,2S)-2-(N-ethyl-4-fluoroanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(N-ethyl-4-fluoroanilino)cyclopentan-1-ol
PubChem CID102734657
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Nametrans-(1S,2S)-2-(N-ethyl-4-fluoroanilino)cyclopentan-1-ol
SMILESCCN(c1ccc(F)cc1)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C13H18FNO/c1-2-15(12-4-3-5-13(12)16)11-8-6-10(14)7-9-11/h6-9,12-13,16H,2-5H2,1H3/t12-,13-/m0/s1
InChIKeyVDTUHMBNHGQEHS-STQMWFEESA-N
XLogP2.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2S)-2-(N-ethyl-4-fluoroanilino)cyclopentan-1-ol 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

trans-(1R,2R)-2-(N-ethylanilino)cycloheptan-1-ol
CID 10681161
trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol
CID 100955701
N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 57205530
N-ethyl-N-(4-fluorophenyl)-4-methylpiperidin-3-amine
CID 66273077
N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide
CID 39964862
2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine
CID 60725521
2-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]cyclohexan-1-ol
CID 102631581
4-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]cyclohexan-1-ol
CID 63489076
N-cyclopentyl-N-ethyl-2-(4-fluorophenyl)acetamide
CID 86926966
trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol
CID 102734361
N-cyclohexyl-N-ethyl-4-(trifluoromethyl)aniline
CID 10778520
N,N-diethyl-4-fluoroaniline
CID 592416

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(N-ethyl-4-fluoroanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(N-ethyl-4-fluoroanilino)cyclopentan-1-ol (CID 102734657) is trans-(1S,2S)-2-(N-ethyl-4-fluoroanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(N-ethyl-4-fluoroanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(N-ethyl-4-fluoroanilino)cyclopentan-1-ol is CCN(c1ccc(F)cc1)[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(N-ethyl-4-fluoroanilino)cyclopentan-1-ol?
The InChIKey is VDTUHMBNHGQEHS-STQMWFEESA-N. The full InChI is InChI=1S/C13H18FNO/c1-2-15(12-4-3-5-13(12)16)11-8-6-10(14)7-9-11/h6-9,12-13,16H,2-5H2,1H3/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(N-ethyl-4-fluoroanilino)cyclopentan-1-ol?
trans-(1S,2S)-2-(N-ethyl-4-fluoroanilino)cyclopentan-1-ol has a molecular weight of 223.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(N-ethyl-4-fluoroanilino)cyclopentan-1-ol is sourced from PubChem (CID 102734657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).