2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine

C15H22ClFN2 — CID 114842840

IUPAC2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
SMILESNCC(c1ccc(Cl)cc1F)N1CCCCCCC1
InChIInChI=1S/C15H22ClFN2/c16-12-6-7-13(14(17)10-12)15(11-18)19-8-4-2-1-3-5-9-19/h6-7,10,15H,1-5,8-9,11,18H2
InChIKeyNQSNMDUHGQNHKW-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.74
Rot. Bonds3

About 2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine

2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine (PubChem CID 114842840) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
PubChem CID114842840
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
SMILESNCC(c1ccc(Cl)cc1F)N1CCCCCCC1
InChIInChI=1S/C15H22ClFN2/c16-12-6-7-13(14(17)10-12)15(11-18)19-8-4-2-1-3-5-9-19/h6-7,10,15H,1-5,8-9,11,18H2
InChIKeyNQSNMDUHGQNHKW-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 114842786
(2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 93285194
2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine
CID 60788814
2-(4-chloro-2-fluorophenyl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanamine
CID 107454238
2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 114843208
2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine
CID 114843422
2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol
CID 116860133
2-(4-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 62136156
2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine
CID 114843418
2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol
CID 54775718
2-piperidin-1-yl-2-(3,4,5-trifluorophenyl)ethanamine
CID 63051253
2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine
CID 114843397

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine?
The IUPAC name of 2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine (CID 114842840) is 2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine is NCC(c1ccc(Cl)cc1F)N1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine?
The InChIKey is NQSNMDUHGQNHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c16-12-6-7-13(14(17)10-12)15(11-18)19-8-4-2-1-3-5-9-19/h6-7,10,15H,1-5,8-9,11,18H2.
What are the key properties of 2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine?
2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine has a molecular weight of 284.81 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine is sourced from PubChem (CID 114842840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).