N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine

C14H20BrFN2 — CID 65074592

IUPACN-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(Nc2cc(Br)ccc2F)CC1
InChIInChI=1S/C14H20BrFN2/c1-2-18-8-3-4-12(7-9-18)17-14-10-11(15)5-6-13(14)16/h5-6,10,12,17H,2-4,7-9H2,1H3
InChIKeyCUIOTFUNJSJBNO-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.87
Rot. Bonds3

About N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine

N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine (PubChem CID 65074592) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine
PubChem CID65074592
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC NameN-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(Nc2cc(Br)ccc2F)CC1
InChIInChI=1S/C14H20BrFN2/c1-2-18-8-3-4-12(7-9-18)17-14-10-11(15)5-6-13(14)16/h5-6,10,12,17H,2-4,7-9H2,1H3
InChIKeyCUIOTFUNJSJBNO-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine
CID 65073536
3-[(1-ethylazepan-4-yl)amino]-4-fluorobenzoic acid
CID 65074475
N-(2,4-dibromophenyl)-1-ethylpiperidin-4-amine
CID 43683069
N-(3-bromophenyl)-1-ethylazepan-4-amine
CID 65072536
1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine
CID 65072745
1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine
CID 62816568
4-bromo-2-N-(1-ethylpiperidin-3-yl)benzene-1,2-diamine
CID 65343642
N-(2,6-difluorophenyl)-1-ethylazepan-4-amine
CID 65074729
N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43555455
N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine
CID 65074721
1-ethyl-N-(2-fluoro-4-nitrophenyl)azepan-4-amine
CID 65073343
N-(2,4-dimethylphenyl)-1-ethylazepan-4-amine
CID 65072468

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine (CID 65074592) is N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine is CCN1CCCC(Nc2cc(Br)ccc2F)CC1.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine?
The InChIKey is CUIOTFUNJSJBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-2-18-8-3-4-12(7-9-18)17-14-10-11(15)5-6-13(14)16/h5-6,10,12,17H,2-4,7-9H2,1H3.
What are the key properties of N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine?
N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine has a molecular weight of 315.23 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine is sourced from PubChem (CID 65074592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).