N-(4,4-difluorocyclohexyl)-3-methoxyaniline

C13H17F2NO — CID 171662901

IUPACN-(4,4-difluorocyclohexyl)-3-methoxyaniline
SMILESCOc1cccc(NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C13H17F2NO/c1-17-12-4-2-3-11(9-12)16-10-5-7-13(14,15)8-6-10/h2-4,9-10,16H,5-8H2,1H3
InChIKeyAIWKSIDRNYXDHC-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.68
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-3-methoxyaniline

N-(4,4-difluorocyclohexyl)-3-methoxyaniline (PubChem CID 171662901) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-3-methoxyaniline.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-3-methoxyaniline
PubChem CID171662901
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC NameN-(4,4-difluorocyclohexyl)-3-methoxyaniline
SMILESCOc1cccc(NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C13H17F2NO/c1-17-12-4-2-3-11(9-12)16-10-5-7-13(14,15)8-6-10/h2-4,9-10,16H,5-8H2,1H3
InChIKeyAIWKSIDRNYXDHC-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylcyclopentyl)-3-methoxyaniline
CID 79864652
3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 64758791
N-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine
CID 133372597
tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate
CID 22557965
(4S,4aS,8aR)-4-(3-methoxyanilino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 52912005
N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline
CID 43633962
N-cyclopropyl-3-(2-methylpropoxy)aniline
CID 103439181
3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline
CID 96923143
trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol
CID 93345904
N-cyclopropyl-3-(2-methoxyethoxy)aniline
CID 103439187
N-(1-cyclopropylethyl)-3-methoxyaniline
CID 43196364
N-(3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-ylmethyl)piperidin-4-amine
CID 138027618

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-3-methoxyaniline?
The IUPAC name of N-(4,4-difluorocyclohexyl)-3-methoxyaniline (CID 171662901) is N-(4,4-difluorocyclohexyl)-3-methoxyaniline.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-3-methoxyaniline?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-3-methoxyaniline is COc1cccc(NC2CCC(F)(F)CC2)c1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-3-methoxyaniline?
The InChIKey is AIWKSIDRNYXDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-17-12-4-2-3-11(9-12)16-10-5-7-13(14,15)8-6-10/h2-4,9-10,16H,5-8H2,1H3.
What are the key properties of N-(4,4-difluorocyclohexyl)-3-methoxyaniline?
N-(4,4-difluorocyclohexyl)-3-methoxyaniline has a molecular weight of 241.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-3-methoxyaniline is sourced from PubChem (CID 171662901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).