N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine

C16H23F2N — CID 43080967

IUPACN-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
SMILESCC(NC1CCCCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2N/c1-12(15-10-9-13(17)11-16(15)18)19-14-7-5-3-2-4-6-8-14/h9-12,14,19H,2-8H2,1H3
InChIKeyWJZBDTRIGYMHGF-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.73
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine

N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine (PubChem CID 43080967) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
PubChem CID43080967
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
SMILESCC(NC1CCCCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2N/c1-12(15-10-9-13(17)11-16(15)18)19-14-7-5-3-2-4-6-8-14/h9-12,14,19H,2-8H2,1H3
InChIKeyWJZBDTRIGYMHGF-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086758
N-[1-(2,4-difluorophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43081227
N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]cyclopentanamine
CID 43756493
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile
CID 54893948
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429585
N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine
CID 130625932
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
N-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 43780397
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid
CID 54892642
N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclohexanamine
CID 45208565
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetamide
CID 54894291

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine (CID 43080967) is N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine is CC(NC1CCCCCCC1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine?
The InChIKey is WJZBDTRIGYMHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-12(15-10-9-13(17)11-16(15)18)19-14-7-5-3-2-4-6-8-14/h9-12,14,19H,2-8H2,1H3.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine?
N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine has a molecular weight of 267.36 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine is sourced from PubChem (CID 43080967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).