N-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline

C15H22FN — CID 114254485

IUPACN-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline
SMILESCc1cccc(NC2CCCCC2(C)C)c1F
InChIInChI=1S/C15H22FN/c1-11-7-6-8-12(14(11)16)17-13-9-4-5-10-15(13,2)3/h6-8,13,17H,4-5,9-10H2,1-3H3
InChIKeyDPGJAANNWHRRCC-UHFFFAOYSA-N
MW235.35 g/mol
LogP4.51
Rot. Bonds2

About N-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline

N-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline (PubChem CID 114254485) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline
PubChem CID114254485
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline
SMILESCc1cccc(NC2CCCCC2(C)C)c1F
InChIInChI=1S/C15H22FN/c1-11-7-6-8-12(14(11)16)17-13-9-4-5-10-15(13,2)3/h6-8,13,17H,4-5,9-10H2,1-3H3
InChIKeyDPGJAANNWHRRCC-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-dimethylcyclohexyl)-2-fluoroaniline
CID 79828760
N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline
CID 79829574
N-(2,2-dimethylcyclohexyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 79829071
N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline
CID 79829148
N-(2,2-dimethylcyclobutyl)-2-methylaniline
CID 130532967
3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide
CID 79836934
N-(2,2-dimethylcyclopentyl)-4-fluoro-2-methylaniline
CID 79864742
N-(2,2-dimethylcyclohexyl)-2-ethyl-6-methylaniline
CID 79837088
N-(2,2-dimethylcyclopentyl)-2-methylsulfanylaniline
CID 79859896
1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 79861808
N-(2,2-dimethylcyclohexyl)-2-(trifluoromethylsulfanyl)aniline
CID 79829200
N-(2,2-dimethylcyclohexyl)-4-fluoroaniline
CID 79828345

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline (CID 114254485) is N-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline is Cc1cccc(NC2CCCCC2(C)C)c1F.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline?
The InChIKey is DPGJAANNWHRRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-7-6-8-12(14(11)16)17-13-9-4-5-10-15(13,2)3/h6-8,13,17H,4-5,9-10H2,1-3H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline?
N-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline has a molecular weight of 235.35 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline is sourced from PubChem (CID 114254485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).