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

C17H26FN — CID 112681857

IUPACN-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(NCc2ccc(F)cc2)CC(C)(C)C1
InChIInChI=1S/C17H26FN/c1-16(2)9-15(10-17(3,4)12-16)19-11-13-5-7-14(18)8-6-13/h5-8,15,19H,9-12H2,1-4H3
InChIKeyVNJHAKYYVALERB-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.52
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 112681857) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID112681857
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC NameN-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(NCc2ccc(F)cc2)CC(C)(C)C1
InChIInChI=1S/C17H26FN/c1-16(2)9-15(10-17(3,4)12-16)19-11-13-5-7-14(18)8-6-13/h5-8,15,19H,9-12H2,1-4H3
InChIKeyVNJHAKYYVALERB-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998578
N-[[4-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965603
N-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965630
2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 107685969
N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 22386980
N-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965604
N-[(4-chloro-2-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 114842619
N-[(4-fluorophenyl)methyl]oxetan-3-amine
CID 56604676
N-[(3-chloro-4-methoxyphenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965738
N-[(4-bromo-2-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965550
N-[[3-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998862
4-[[(3,3-dimethylcyclopentyl)amino]methyl]-2-fluoroaniline
CID 114547589

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine (CID 112681857) is N-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine is CC1(C)CC(NCc2ccc(F)cc2)CC(C)(C)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is VNJHAKYYVALERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-16(2)9-15(10-17(3,4)12-16)19-11-13-5-7-14(18)8-6-13/h5-8,15,19H,9-12H2,1-4H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
N-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 112681857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).