2-(2-ethylazepan-1-yl)-6-fluoroaniline

C14H21FN2 — CID 104688888

IUPAC2-(2-ethylazepan-1-yl)-6-fluoroaniline
SMILESCCC1CCCCCN1c1cccc(F)c1N
InChIInChI=1S/C14H21FN2/c1-2-11-7-4-3-5-10-17(11)13-9-6-8-12(15)14(13)16/h6,8-9,11H,2-5,7,10,16H2,1H3
InChIKeyPYOXJSZABNZFLN-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.57
Rot. Bonds2

About 2-(2-ethylazepan-1-yl)-6-fluoroaniline

2-(2-ethylazepan-1-yl)-6-fluoroaniline (PubChem CID 104688888) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-(2-ethylazepan-1-yl)-6-fluoroaniline.

Molecular Properties

Compound Name2-(2-ethylazepan-1-yl)-6-fluoroaniline
PubChem CID104688888
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-(2-ethylazepan-1-yl)-6-fluoroaniline
SMILESCCC1CCCCCN1c1cccc(F)c1N
InChIInChI=1S/C14H21FN2/c1-2-11-7-4-3-5-10-17(11)13-9-6-8-12(15)14(13)16/h6,8-9,11H,2-5,7,10,16H2,1H3
InChIKeyPYOXJSZABNZFLN-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylazepan-1-yl)-4,5-difluoroaniline
CID 112751845
ethyl 2-amino-3-(2-ethylazepan-1-yl)benzoate
CID 104691272
2-(2-ethylpyrrolidin-1-yl)-6-fluorobenzenecarbothioamide
CID 79513153
[2-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688934
2-(2-ethylazepan-1-yl)-3-fluorobenzoic acid
CID 104690126
4-(2-ethylpiperidin-1-yl)-5-fluoro-2-methoxyaniline
CID 107258766
(1S)-1-[2-(2-ethylazepan-1-yl)-6-methoxyphenyl]ethanamine
CID 104690196
2-chloro-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 104690008
(1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol
CID 104690574
2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 114883345
(1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 63368240
4-(2-ethylazepan-1-yl)-3-fluorobenzonitrile
CID 104689833

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylazepan-1-yl)-6-fluoroaniline?
The IUPAC name of 2-(2-ethylazepan-1-yl)-6-fluoroaniline (CID 104688888) is 2-(2-ethylazepan-1-yl)-6-fluoroaniline.
What is the SMILES notation for 2-(2-ethylazepan-1-yl)-6-fluoroaniline?
The canonical SMILES for 2-(2-ethylazepan-1-yl)-6-fluoroaniline is CCC1CCCCCN1c1cccc(F)c1N.
What is the InChIKey of 2-(2-ethylazepan-1-yl)-6-fluoroaniline?
The InChIKey is PYOXJSZABNZFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-11-7-4-3-5-10-17(11)13-9-6-8-12(15)14(13)16/h6,8-9,11H,2-5,7,10,16H2,1H3.
What are the key properties of 2-(2-ethylazepan-1-yl)-6-fluoroaniline?
2-(2-ethylazepan-1-yl)-6-fluoroaniline has a molecular weight of 236.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylazepan-1-yl)-6-fluoroaniline is sourced from PubChem (CID 104688888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).