N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline

C14H19F2N — CID 64776370

IUPACN-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline
SMILESCC1CCCC(Nc2ccc(F)c(F)c2)C1C
InChIInChI=1S/C14H19F2N/c1-9-4-3-5-14(10(9)2)17-11-6-7-12(15)13(16)8-11/h6-10,14,17H,3-5H2,1-2H3
InChIKeyVFLJYNPAKQPADJ-UHFFFAOYSA-N
MW239.31 g/mol
LogP4.20
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline

N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline (PubChem CID 64776370) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline
PubChem CID64776370
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline
SMILESCC1CCCC(Nc2ccc(F)c(F)c2)C1C
InChIInChI=1S/C14H19F2N/c1-9-4-3-5-14(10(9)2)17-11-6-7-12(15)13(16)8-11/h6-10,14,17H,3-5H2,1-2H3
InChIKeyVFLJYNPAKQPADJ-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline
CID 64760115
1-N-(3,4-difluorophenyl)cyclopentane-1,2-diamine
CID 102571502
N-(2,3-dimethylcyclohexyl)-6-fluoropyridin-3-amine
CID 104586722
trans-(1S,2S)-2-(3,4-difluoroanilino)cyclohexan-1-ol
CID 102730932
N-(2-tert-butylcyclohexyl)-3,4-difluoroaniline
CID 43095485
N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776575
6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine
CID 81260243
3,4-difluoro-N-(2-methoxycyclohexyl)aniline
CID 43761652
(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
CID 97358475
N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
CID 65081163
3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline
CID 64774712
2-fluoro-5-[(2-methylcyclopentyl)amino]benzoic acid
CID 65044578

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline (CID 64776370) is N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline is CC1CCCC(Nc2ccc(F)c(F)c2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline?
The InChIKey is VFLJYNPAKQPADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-9-4-3-5-14(10(9)2)17-11-6-7-12(15)13(16)8-11/h6-10,14,17H,3-5H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline?
N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline has a molecular weight of 239.31 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline is sourced from PubChem (CID 64776370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).