N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine

C16H24FNO — CID 82783172

IUPACN-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine
SMILESCCNC1CCCCCC1c1cc(F)ccc1OC
InChIInChI=1S/C16H24FNO/c1-3-18-15-8-6-4-5-7-13(15)14-11-12(17)9-10-16(14)19-2/h9-11,13,15,18H,3-8H2,1-2H3
InChIKeyNZGLSTUHISFUGF-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.86
Rot. Bonds4

About N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine

N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine (PubChem CID 82783172) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine
PubChem CID82783172
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine
SMILESCCNC1CCCCCC1c1cc(F)ccc1OC
InChIInChI=1S/C16H24FNO/c1-3-18-15-8-6-4-5-7-13(15)14-11-12(17)9-10-16(14)19-2/h9-11,13,15,18H,3-8H2,1-2H3
InChIKeyNZGLSTUHISFUGF-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine?
The IUPAC name of N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine (CID 82783172) is N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine is CCNC1CCCCCC1c1cc(F)ccc1OC.
What is the InChIKey of N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine?
The InChIKey is NZGLSTUHISFUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-18-15-8-6-4-5-7-13(15)14-11-12(17)9-10-16(14)19-2/h9-11,13,15,18H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine?
N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine is sourced from PubChem (CID 82783172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).