2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine

C14H20ClFN2 — CID 114866715

IUPAC2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine
SMILESCCN1CCCCC(N)C1c1cc(Cl)ccc1F
InChIInChI=1S/C14H20ClFN2/c1-2-18-8-4-3-5-13(17)14(18)11-9-10(15)6-7-12(11)16/h6-7,9,13-14H,2-5,8,17H2,1H3
InChIKeyCJFCHWTUNPIWPI-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.35
Rot. Bonds2

About 2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine

2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine (PubChem CID 114866715) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine
PubChem CID114866715
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine
SMILESCCN1CCCCC(N)C1c1cc(Cl)ccc1F
InChIInChI=1S/C14H20ClFN2/c1-2-18-8-4-3-5-13(17)14(18)11-9-10(15)6-7-12(11)16/h6-7,9,13-14H,2-5,8,17H2,1H3
InChIKeyCJFCHWTUNPIWPI-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine (CID 114866715) is 2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine is CCN1CCCCC(N)C1c1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine?
The InChIKey is CJFCHWTUNPIWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-2-18-8-4-3-5-13(17)14(18)11-9-10(15)6-7-12(11)16/h6-7,9,13-14H,2-5,8,17H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine?
2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine has a molecular weight of 270.78 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine is sourced from PubChem (CID 114866715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).