3,4-difluoro-N-(2-methoxycyclohexyl)aniline

C13H17F2NO — CID 43761652

IUPAC3,4-difluoro-N-(2-methoxycyclohexyl)aniline
SMILESCOC1CCCCC1Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO/c1-17-13-5-3-2-4-12(13)16-9-6-7-10(14)11(15)8-9/h6-8,12-13,16H,2-5H2,1H3
InChIKeyYUQQIIXWAJQVJW-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.33
Rot. Bonds3

About 3,4-difluoro-N-(2-methoxycyclohexyl)aniline

3,4-difluoro-N-(2-methoxycyclohexyl)aniline (PubChem CID 43761652) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-methoxycyclohexyl)aniline.

Molecular Properties

Compound Name3,4-difluoro-N-(2-methoxycyclohexyl)aniline
PubChem CID43761652
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name3,4-difluoro-N-(2-methoxycyclohexyl)aniline
SMILESCOC1CCCCC1Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO/c1-17-13-5-3-2-4-12(13)16-9-6-7-10(14)11(15)8-9/h6-8,12-13,16H,2-5H2,1H3
InChIKeyYUQQIIXWAJQVJW-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4-difluoro-N-(2-methoxycyclohexyl)aniline 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

4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline
CID 43785721
2,4,5-trifluoro-N-(2-methoxycyclohexyl)aniline
CID 62815537
trans-(1S,2S)-2-(3,4-difluoroanilino)cyclohexan-1-ol
CID 102730932
N-(2-tert-butylcyclohexyl)-3,4-difluoroaniline
CID 43095485
2,3,5,6-tetrafluoro-N-(2-methoxycyclohexyl)aniline
CID 107643580
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43780431
N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776370
N-(2-methoxycyclohexyl)-1H-indol-5-amine
CID 43768693
1-N-(3,4-difluorophenyl)cyclopentane-1,2-diamine
CID 102571502
4-bromo-2,6-difluoro-N-(2-methoxycyclohexyl)aniline
CID 65468907
5-[(2-methoxycyclohexyl)amino]-2-methylisoindole-1,3-dione
CID 43759039
methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
CID 43788003

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-methoxycyclohexyl)aniline?
The IUPAC name of 3,4-difluoro-N-(2-methoxycyclohexyl)aniline (CID 43761652) is 3,4-difluoro-N-(2-methoxycyclohexyl)aniline.
What is the SMILES notation for 3,4-difluoro-N-(2-methoxycyclohexyl)aniline?
The canonical SMILES for 3,4-difluoro-N-(2-methoxycyclohexyl)aniline is COC1CCCCC1Nc1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(2-methoxycyclohexyl)aniline?
The InChIKey is YUQQIIXWAJQVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-17-13-5-3-2-4-12(13)16-9-6-7-10(14)11(15)8-9/h6-8,12-13,16H,2-5H2,1H3.
What are the key properties of 3,4-difluoro-N-(2-methoxycyclohexyl)aniline?
3,4-difluoro-N-(2-methoxycyclohexyl)aniline has a molecular weight of 241.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2-methoxycyclohexyl)aniline is sourced from PubChem (CID 43761652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).