N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine

C19H30FN — CID 65299109

IUPACN-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(F)c(C)c1)C1CCCCCCC1
InChIInChI=1S/C19H30FN/c1-4-21-19(16-10-8-6-5-7-9-11-16)17-12-14(2)18(20)15(3)13-17/h12-13,16,19,21H,4-11H2,1-3H3
InChIKeyWAIFWJDVIFPDHS-UHFFFAOYSA-N
MW291.45 g/mol
LogP5.45
Rot. Bonds4

About N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine

N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine (PubChem CID 65299109) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
PubChem CID65299109
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(F)c(C)c1)C1CCCCCCC1
InChIInChI=1S/C19H30FN/c1-4-21-19(16-10-8-6-5-7-9-11-16)17-12-14(2)18(20)15(3)13-17/h12-13,16,19,21H,4-11H2,1-3H3
InChIKeyWAIFWJDVIFPDHS-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.45
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3,5-dimethylphenyl)-cycloheptylmethyl]ethanamine
CID 114330720
N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704680
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
N-[(2,2-dimethylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 107177896
N-[(3-chloro-5-methylphenyl)-cyclohexylmethyl]ethanamine
CID 114980853
N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105027735
N-[cyclohexyl-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 114981388
N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 55187562
N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 114981149
N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 63508117
N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
CID 65399254
N-[cycloheptyl-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 82932686

Frequently Asked Questions

What is the IUPAC name of N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine (CID 65299109) is N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine is CCNC(c1cc(C)c(F)c(C)c1)C1CCCCCCC1.
What is the InChIKey of N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine?
The InChIKey is WAIFWJDVIFPDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-4-21-19(16-10-8-6-5-7-9-11-16)17-12-14(2)18(20)15(3)13-17/h12-13,16,19,21H,4-11H2,1-3H3.
What are the key properties of N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine?
N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine has a molecular weight of 291.45 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 65299109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).