N-(2,6-dimethylcyclohexyl)-3-fluoro-5-methoxyaniline

C15H22FNO — CID 114262716

IUPACN-(2,6-dimethylcyclohexyl)-3-fluoro-5-methoxyaniline
SMILESCOc1cc(F)cc(NC2C(C)CCCC2C)c1
InChIInChI=1S/C15H22FNO/c1-10-5-4-6-11(2)15(10)17-13-7-12(16)8-14(9-13)18-3/h7-11,15,17H,4-6H2,1-3H3
InChIKeyOEWBSWMFHYSWAE-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.07
Rot. Bonds3

About N-(2,6-dimethylcyclohexyl)-3-fluoro-5-methoxyaniline

N-(2,6-dimethylcyclohexyl)-3-fluoro-5-methoxyaniline (PubChem CID 114262716) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-3-fluoro-5-methoxyaniline.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-3-fluoro-5-methoxyaniline
PubChem CID114262716
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-(2,6-dimethylcyclohexyl)-3-fluoro-5-methoxyaniline
SMILESCOc1cc(F)cc(NC2C(C)CCCC2C)c1
InChIInChI=1S/C15H22FNO/c1-10-5-4-6-11(2)15(10)17-13-7-12(16)8-14(9-13)18-3/h7-11,15,17H,4-6H2,1-3H3
InChIKeyOEWBSWMFHYSWAE-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine
CID 113347233
N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
CID 43380623
N-(3-fluoro-5-methoxyphenyl)oxan-3-amine
CID 115884906
3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923141
5-methoxy-3-N-(2-methylcyclopentyl)benzene-1,3-diamine
CID 80735658
(3-fluoro-5-methoxyphenyl)hydrazine;hydrochloride
CID 71756043
3-fluoro-5-methoxy-N-(piperidin-2-ylmethyl)aniline
CID 114262758
3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline
CID 114262773
4-[(2,6-dimethylcyclohexyl)amino]-2-fluorophenol
CID 64792592
3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline
CID 104776139
3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline
CID 96923143
4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline
CID 43106401

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-3-fluoro-5-methoxyaniline?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-3-fluoro-5-methoxyaniline (CID 114262716) is N-(2,6-dimethylcyclohexyl)-3-fluoro-5-methoxyaniline.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-3-fluoro-5-methoxyaniline?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-3-fluoro-5-methoxyaniline is COc1cc(F)cc(NC2C(C)CCCC2C)c1.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-3-fluoro-5-methoxyaniline?
The InChIKey is OEWBSWMFHYSWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10-5-4-6-11(2)15(10)17-13-7-12(16)8-14(9-13)18-3/h7-11,15,17H,4-6H2,1-3H3.
What are the key properties of N-(2,6-dimethylcyclohexyl)-3-fluoro-5-methoxyaniline?
N-(2,6-dimethylcyclohexyl)-3-fluoro-5-methoxyaniline has a molecular weight of 251.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-3-fluoro-5-methoxyaniline is sourced from PubChem (CID 114262716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).