tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate

C17H25FN2O2 — CID 104844649

IUPACtert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1NCc1ccccc1F
InChIInChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)20-15-10-6-9-14(15)19-11-12-7-4-5-8-13(12)18/h4-5,7-8,14-15,19H,6,9-11H2,1-3H3,(H,20,21)
InChIKeyOZCICCQHWQTVLW-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.36
Rot. Bonds4

About tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate

tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate (PubChem CID 104844649) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate
PubChem CID104844649
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Nametert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1NCc1ccccc1F
InChIInChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)20-15-10-6-9-14(15)19-11-12-7-4-5-8-13(12)18/h4-5,7-8,14-15,19H,6,9-11H2,1-3H3,(H,20,21)
InChIKeyOZCICCQHWQTVLW-UHFFFAOYSA-N
XLogP3.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate 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

tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 103917287
tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate
CID 107237513
tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate
CID 86794465
tert-butyl N-[(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexyl]carbamate
CID 68899041
tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate
CID 104844767
tert-butyl N-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclopentyl]carbamate
CID 107243708
tert-butyl N-[2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentyl]carbamate
CID 104844678
tert-butyl N-[(1R,2R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]cyclopentyl]carbamate
CID 139576411
tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate
CID 103917367
tert-butyl N-[(1R,2R)-2-[(2-hydroxy-5-methoxyphenyl)methylamino]cyclohexyl]carbamate
CID 90273225
2-[(2-fluorophenyl)methylamino]cyclopentan-1-ol
CID 60713458
tert-butyl N-[2-[(2-bromophenyl)methylamino]cyclopropyl]carbamate
CID 107237536

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate (CID 104844649) is tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCCC1NCc1ccccc1F.
What is the InChIKey of tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate?
The InChIKey is OZCICCQHWQTVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)20-15-10-6-9-14(15)19-11-12-7-4-5-8-13(12)18/h4-5,7-8,14-15,19H,6,9-11H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate?
tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate has a molecular weight of 308.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate is sourced from PubChem (CID 104844649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).