2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine

C16H24F2N2O — CID 43211843

IUPAC2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine
SMILESNCC(c1ccccc1OC(F)F)N1CCCCCCC1
InChIInChI=1S/C16H24F2N2O/c17-16(18)21-15-9-5-4-8-13(15)14(12-19)20-10-6-2-1-3-7-11-20/h4-5,8-9,14,16H,1-3,6-7,10-12,19H2
InChIKeyKOXLXBQZWKRNRT-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.55
Rot. Bonds5

About 2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine

2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine (PubChem CID 43211843) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine
PubChem CID43211843
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine
SMILESNCC(c1ccccc1OC(F)F)N1CCCCCCC1
InChIInChI=1S/C16H24F2N2O/c17-16(18)21-15-9-5-4-8-13(15)14(12-19)20-10-6-2-1-3-7-11-20/h4-5,8-9,14,16H,1-3,6-7,10-12,19H2
InChIKeyKOXLXBQZWKRNRT-UHFFFAOYSA-N
XLogP3.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-ethoxyphenyl)-2-piperidin-1-ylethanamine
CID 93489676
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine
CID 171166965
(2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 30116375
2-(azepan-1-yl)-2-naphthalen-1-ylethanamine
CID 43180381
2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine
CID 16790891
2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol
CID 82041916
2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine
CID 62392801
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
CID 171177496
2-(azepan-1-yl)-2-(2-chlorophenyl)ethanamine;oxalic acid
CID 45075213
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171166984
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine
CID 171311153

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine (CID 43211843) is 2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine is NCC(c1ccccc1OC(F)F)N1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine?
The InChIKey is KOXLXBQZWKRNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c17-16(18)21-15-9-5-4-8-13(15)14(12-19)20-10-6-2-1-3-7-11-20/h4-5,8-9,14,16H,1-3,6-7,10-12,19H2.
What are the key properties of 2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine?
2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine has a molecular weight of 298.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 43211843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).