N-ethyl-N-(2-fluorophenyl)azepan-4-amine

C14H21FN2 — CID 112690286

IUPACN-ethyl-N-(2-fluorophenyl)azepan-4-amine
SMILESCCN(c1ccccc1F)C1CCCNCC1
InChIInChI=1S/C14H21FN2/c1-2-17(12-6-5-10-16-11-9-12)14-8-4-3-7-13(14)15/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3
InChIKeyAXGVNBLFEZZNGO-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.79
Rot. Bonds3

About N-ethyl-N-(2-fluorophenyl)azepan-4-amine

N-ethyl-N-(2-fluorophenyl)azepan-4-amine (PubChem CID 112690286) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-ethyl-N-(2-fluorophenyl)azepan-4-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-fluorophenyl)azepan-4-amine
PubChem CID112690286
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-ethyl-N-(2-fluorophenyl)azepan-4-amine
SMILESCCN(c1ccccc1F)C1CCCNCC1
InChIInChI=1S/C14H21FN2/c1-2-17(12-6-5-10-16-11-9-12)14-8-4-3-7-13(14)15/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3
InChIKeyAXGVNBLFEZZNGO-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-fluorophenyl)azepan-3-amine
CID 113229556
N-ethyl-N-phenylazepan-4-amine
CID 112690283
N-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine
CID 63636998
2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile
CID 78958816
N-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 82014462
N-methyl-N-(2-methylphenyl)azepan-4-amine
CID 112690295
N-ethyl-N-(2-fluorophenyl)-2-piperidin-3-ylacetamide
CID 55105522
N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 114930841
N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 102819482
N-(azepan-4-yl)-2,6-difluoro-N-methylbenzenesulfonamide
CID 107173137
N-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine
CID 157061422
1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine
CID 28972591

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-fluorophenyl)azepan-4-amine?
The IUPAC name of N-ethyl-N-(2-fluorophenyl)azepan-4-amine (CID 112690286) is N-ethyl-N-(2-fluorophenyl)azepan-4-amine.
What is the SMILES notation for N-ethyl-N-(2-fluorophenyl)azepan-4-amine?
The canonical SMILES for N-ethyl-N-(2-fluorophenyl)azepan-4-amine is CCN(c1ccccc1F)C1CCCNCC1.
What is the InChIKey of N-ethyl-N-(2-fluorophenyl)azepan-4-amine?
The InChIKey is AXGVNBLFEZZNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-17(12-6-5-10-16-11-9-12)14-8-4-3-7-13(14)15/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3.
What are the key properties of N-ethyl-N-(2-fluorophenyl)azepan-4-amine?
N-ethyl-N-(2-fluorophenyl)azepan-4-amine has a molecular weight of 236.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-fluorophenyl)azepan-4-amine is sourced from PubChem (CID 112690286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).