N-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine

C17H26FN — CID 43078690

IUPACN-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(NC(C)c2ccc(F)cc2)CC(C)(C)C1
InChIInChI=1S/C17H26FN/c1-12-9-16(11-17(3,4)10-12)19-13(2)14-5-7-15(18)8-6-14/h5-8,12-13,16,19H,9-11H2,1-4H3
InChIKeyYRGITJIBXMANCS-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.69
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine

N-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine (PubChem CID 43078690) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
PubChem CID43078690
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(NC(C)c2ccc(F)cc2)CC(C)(C)C1
InChIInChI=1S/C17H26FN/c1-12-9-16(11-17(3,4)10-12)19-13(2)14-5-7-15(18)8-6-14/h5-8,12-13,16,19H,9-11H2,1-4H3
InChIKeyYRGITJIBXMANCS-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,5-trimethyl-N-[1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 63449363
N-[1-(4-ethylphenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43223742
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961009
N-[1-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998614
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723418
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81348393
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81351515
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine
CID 81350839
N-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43426732
N-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 81403333
3-(4-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81351603
3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine
CID 81348443

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine (CID 43078690) is N-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine is CC1CC(NC(C)c2ccc(F)cc2)CC(C)(C)C1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine?
The InChIKey is YRGITJIBXMANCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-12-9-16(11-17(3,4)10-12)19-13(2)14-5-7-15(18)8-6-14/h5-8,12-13,16,19H,9-11H2,1-4H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine?
N-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 43078690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).