N-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline

C16H25FN2 — CID 104692420

IUPACN-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline
SMILESCCC1CCCCCN1CCNc1ccccc1F
InChIInChI=1S/C16H25FN2/c1-2-14-8-4-3-7-12-19(14)13-11-18-16-10-6-5-9-15(16)17/h5-6,9-10,14,18H,2-4,7-8,11-13H2,1H3
InChIKeyIQSDIDPNILEXDS-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.89
Rot. Bonds5

About N-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline

N-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline (PubChem CID 104692420) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline
PubChem CID104692420
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline
SMILESCCC1CCCCCN1CCNc1ccccc1F
InChIInChI=1S/C16H25FN2/c1-2-14-8-4-3-7-12-19(14)13-11-18-16-10-6-5-9-15(16)17/h5-6,9-10,14,18H,2-4,7-8,11-13H2,1H3
InChIKeyIQSDIDPNILEXDS-UHFFFAOYSA-N
XLogP3.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline
CID 104692395
2-bromo-N-[2-(2-ethylazepan-1-yl)ethyl]aniline
CID 104692439
1-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-(2-fluorophenyl)thiourea
CID 100686060
N-[2-(azepan-1-yl)ethyl]-2-fluoroaniline
CID 54807239
N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-2-fluoroaniline
CID 55089409
(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine
CID 870763
[1-[2-[(3-fluoro-4-pyridinyl)amino]ethyl]piperidin-2-yl]methanol
CID 134711273
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-fluoroaniline
CID 62573377
1-[(2-bromo-3-fluorophenyl)methyl]-2-ethylazepane
CID 104691389
N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-2-fluoroaniline
CID 62932207
[2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine
CID 104690285
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111464659

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline?
The IUPAC name of N-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline (CID 104692420) is N-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline.
What is the SMILES notation for N-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline?
The canonical SMILES for N-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline is CCC1CCCCCN1CCNc1ccccc1F.
What is the InChIKey of N-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline?
The InChIKey is IQSDIDPNILEXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-2-14-8-4-3-7-12-19(14)13-11-18-16-10-6-5-9-15(16)17/h5-6,9-10,14,18H,2-4,7-8,11-13H2,1H3.
What are the key properties of N-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline?
N-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline has a molecular weight of 264.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline is sourced from PubChem (CID 104692420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).