(1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine

C14H19FN2O2 — CID 107349341

IUPAC(1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
SMILESC[C@H](NCc1cccc([N+](=O)[O-])c1F)C1CCCC1
InChIInChI=1S/C14H19FN2O2/c1-10(11-5-2-3-6-11)16-9-12-7-4-8-13(14(12)15)17(18)19/h4,7-8,10-11,16H,2-3,5-6,9H2,1H3/t10-/m0/s1
InChIKeySCJGJMXTTKIYHW-JTQLQIEISA-N
MW266.32 g/mol
LogP3.40
Rot. Bonds5

About (1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine

(1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine (PubChem CID 107349341) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
PubChem CID107349341
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
SMILESC[C@H](NCc1cccc([N+](=O)[O-])c1F)C1CCCC1
InChIInChI=1S/C14H19FN2O2/c1-10(11-5-2-3-6-11)16-9-12-7-4-8-13(14(12)15)17(18)19/h4,7-8,10-11,16H,2-3,5-6,9H2,1H3/t10-/m0/s1
InChIKeySCJGJMXTTKIYHW-JTQLQIEISA-N
XLogP3.40
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine
CID 81384906
1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 62406103
(1R)-1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 81385412
2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol
CID 107348946
(1S)-N-[(2-chloro-6-nitrophenyl)methyl]-1-cyclopentylethanamine
CID 81394826
(1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-cyclopentylethanamine
CID 104916362
N-[(2-nitrophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103901284
3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile
CID 104579614
(1R)-N-[(4-chloro-2-nitrophenyl)methyl]-1-cyclohexylethanamine
CID 81384533
2-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetic acid
CID 107350116
N-[(2-fluoro-3-nitrophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107349047
2-[(2-fluoro-3-nitrophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 107349412

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine (CID 107349341) is (1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine is C[C@H](NCc1cccc([N+](=O)[O-])c1F)C1CCCC1.
What is the InChIKey of (1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine?
The InChIKey is SCJGJMXTTKIYHW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10(11-5-2-3-6-11)16-9-12-7-4-8-13(14(12)15)17(18)19/h4,7-8,10-11,16H,2-3,5-6,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine?
(1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine has a molecular weight of 266.32 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 107349341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).