N-[2-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine

C18H28FN — CID 115998578

IUPACN-[2-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(NCCc2ccc(F)cc2)CC(C)(C)C1
InChIInChI=1S/C18H28FN/c1-17(2)11-16(12-18(3,4)13-17)20-10-9-14-5-7-15(19)8-6-14/h5-8,16,20H,9-13H2,1-4H3
InChIKeyCZOVGXVUWXUNBS-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.56
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine

N-[2-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 115998578) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID115998578
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(NCCc2ccc(F)cc2)CC(C)(C)C1
InChIInChI=1S/C18H28FN/c1-17(2)11-16(12-18(3,4)13-17)20-10-9-14-5-7-15(19)8-6-14/h5-8,16,20H,9-13H2,1-4H3
InChIKeyCZOVGXVUWXUNBS-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112681857
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpiperidin-4-amine
CID 115145574
N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 65080834
2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 107685969
N-[[4-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965603
N-[2-(4-fluorophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632093
N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222915
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N-[1-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998614
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961009
1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine
CID 115704320
1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine
CID 62982821

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine (CID 115998578) is N-[2-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine is CC1(C)CC(NCCc2ccc(F)cc2)CC(C)(C)C1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is CZOVGXVUWXUNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-17(2)11-16(12-18(3,4)13-17)20-10-9-14-5-7-15(19)8-6-14/h5-8,16,20H,9-13H2,1-4H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
N-[2-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 115998578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).