[2-[2-amino-4-(trifluoromethyl)anilino]cyclopentyl] acetate

C14H17F3N2O2 — CID 18509746

IUPAC[2-[2-amino-4-(trifluoromethyl)anilino]cyclopentyl] acetate
SMILESCC(=O)OC1CCCC1Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C14H17F3N2O2/c1-8(20)21-13-4-2-3-12(13)19-11-6-5-9(7-10(11)18)14(15,16)17/h5-7,12-13,19H,2-4,18H2,1H3
InChIKeyUFDUTWMMEQKFGP-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.18
Rot. Bonds3

About [2-[2-amino-4-(trifluoromethyl)anilino]cyclopentyl] acetate

[2-[2-amino-4-(trifluoromethyl)anilino]cyclopentyl] acetate (PubChem CID 18509746) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is [2-[2-amino-4-(trifluoromethyl)anilino]cyclopentyl] acetate.

Molecular Properties

Compound Name[2-[2-amino-4-(trifluoromethyl)anilino]cyclopentyl] acetate
PubChem CID18509746
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name[2-[2-amino-4-(trifluoromethyl)anilino]cyclopentyl] acetate
SMILESCC(=O)OC1CCCC1Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C14H17F3N2O2/c1-8(20)21-13-4-2-3-12(13)19-11-6-5-9(7-10(11)18)14(15,16)17/h5-7,12-13,19H,2-4,18H2,1H3
InChIKeyUFDUTWMMEQKFGP-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 63402504
2-[(2-methoxycyclopentyl)amino]-5-(trifluoromethyl)benzenecarbothioamide
CID 62087178
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide
CID 62116305
2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide
CID 63252319
1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine
CID 62088185
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide
CID 106199882
trans-(1S,2S)-2-[2-cyano-4-(trifluoromethyl)anilino]cyclopentane-1-carboxamide
CID 97236999
N-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107000194
methyl 3-amino-4-[(2,3-dimethylcyclohexyl)amino]benzoate
CID 61305643
3-[2-amino-4-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 110480197
trans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102733436

Frequently Asked Questions

What is the IUPAC name of [2-[2-amino-4-(trifluoromethyl)anilino]cyclopentyl] acetate?
The IUPAC name of [2-[2-amino-4-(trifluoromethyl)anilino]cyclopentyl] acetate (CID 18509746) is [2-[2-amino-4-(trifluoromethyl)anilino]cyclopentyl] acetate.
What is the SMILES notation for [2-[2-amino-4-(trifluoromethyl)anilino]cyclopentyl] acetate?
The canonical SMILES for [2-[2-amino-4-(trifluoromethyl)anilino]cyclopentyl] acetate is CC(=O)OC1CCCC1Nc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of [2-[2-amino-4-(trifluoromethyl)anilino]cyclopentyl] acetate?
The InChIKey is UFDUTWMMEQKFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-8(20)21-13-4-2-3-12(13)19-11-6-5-9(7-10(11)18)14(15,16)17/h5-7,12-13,19H,2-4,18H2,1H3.
What are the key properties of [2-[2-amino-4-(trifluoromethyl)anilino]cyclopentyl] acetate?
[2-[2-amino-4-(trifluoromethyl)anilino]cyclopentyl] acetate has a molecular weight of 302.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-amino-4-(trifluoromethyl)anilino]cyclopentyl] acetate is sourced from PubChem (CID 18509746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).