N-ethyl-N-(2-fluorophenyl)azepan-3-amine

C14H21FN2 — CID 113229556

IUPACN-ethyl-N-(2-fluorophenyl)azepan-3-amine
SMILESCCN(c1ccccc1F)C1CCCCNC1
InChIInChI=1S/C14H21FN2/c1-2-17(12-7-5-6-10-16-11-12)14-9-4-3-8-13(14)15/h3-4,8-9,12,16H,2,5-7,10-11H2,1H3
InChIKeyFUGOMTNOJFRYJU-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.79
Rot. Bonds3

About N-ethyl-N-(2-fluorophenyl)azepan-3-amine

N-ethyl-N-(2-fluorophenyl)azepan-3-amine (PubChem CID 113229556) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-ethyl-N-(2-fluorophenyl)azepan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-fluorophenyl)azepan-3-amine
PubChem CID113229556
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-ethyl-N-(2-fluorophenyl)azepan-3-amine
SMILESCCN(c1ccccc1F)C1CCCCNC1
InChIInChI=1S/C14H21FN2/c1-2-17(12-7-5-6-10-16-11-12)14-9-4-3-8-13(14)15/h3-4,8-9,12,16H,2,5-7,10-11H2,1H3
InChIKeyFUGOMTNOJFRYJU-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-4-amine
CID 112690286
N-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine
CID 63636998
N-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 82014462
N-ethyl-N-(2-fluorophenyl)-2-piperidin-3-ylacetamide
CID 55105522
2-chloro-6-[ethyl(piperidin-3-yl)amino]benzamide
CID 63638436
2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile
CID 78958816
N-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine
CID 55245884
N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine
CID 107303774
2-(2-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799977
N-(2-fluorophenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 142030462
N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55248730
N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine
CID 112676152

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-fluorophenyl)azepan-3-amine?
The IUPAC name of N-ethyl-N-(2-fluorophenyl)azepan-3-amine (CID 113229556) is N-ethyl-N-(2-fluorophenyl)azepan-3-amine.
What is the SMILES notation for N-ethyl-N-(2-fluorophenyl)azepan-3-amine?
The canonical SMILES for N-ethyl-N-(2-fluorophenyl)azepan-3-amine is CCN(c1ccccc1F)C1CCCCNC1.
What is the InChIKey of N-ethyl-N-(2-fluorophenyl)azepan-3-amine?
The InChIKey is FUGOMTNOJFRYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-17(12-7-5-6-10-16-11-12)14-9-4-3-8-13(14)15/h3-4,8-9,12,16H,2,5-7,10-11H2,1H3.
What are the key properties of N-ethyl-N-(2-fluorophenyl)azepan-3-amine?
N-ethyl-N-(2-fluorophenyl)azepan-3-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-3-amine is sourced from PubChem (CID 113229556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).