2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine

C14H20ClFN2 — CID 16789934

IUPAC2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
SMILESNCC(c1c(F)cccc1Cl)N1CCCCCC1
InChIInChI=1S/C14H20ClFN2/c15-11-6-5-7-12(16)14(11)13(10-17)18-8-3-1-2-4-9-18/h5-7,13H,1-4,8-10,17H2
InChIKeyBVNLCPRHIWBRIY-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.35
Rot. Bonds3

About 2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine

2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine (PubChem CID 16789934) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
PubChem CID16789934
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
SMILESNCC(c1c(F)cccc1Cl)N1CCCCCC1
InChIInChI=1S/C14H20ClFN2/c15-11-6-5-7-12(16)14(11)13(10-17)18-8-3-1-2-4-9-18/h5-7,13H,1-4,8-10,17H2
InChIKeyBVNLCPRHIWBRIY-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 16791427
2-(2-chloro-6-fluorophenyl)-2-(4,4-dimethylazepan-1-yl)ethanamine
CID 65283784
(2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552537
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 115559256
2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 63157457
2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965128
(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30122272
ethyl 3-(2-chloro-6-fluorophenyl)-3-piperidin-1-ylpropanoate
CID 64540330
2-(2-chloro-6-fluorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine
CID 64576849
1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine
CID 82038574
2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 43585100
(2R)-2-(2,6-difluorophenyl)-2-morpholin-4-ylethanamine
CID 30115194

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The IUPAC name of 2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine (CID 16789934) is 2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The canonical SMILES for 2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine is NCC(c1c(F)cccc1Cl)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The InChIKey is BVNLCPRHIWBRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c15-11-6-5-7-12(16)14(11)13(10-17)18-8-3-1-2-4-9-18/h5-7,13H,1-4,8-10,17H2.
What are the key properties of 2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine has a molecular weight of 270.78 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine is sourced from PubChem (CID 16789934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).