N-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline

C14H19F2N — CID 64775137

IUPACN-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline
SMILESCC1CCC(Nc2cc(F)ccc2F)C(C)C1
InChIInChI=1S/C14H19F2N/c1-9-3-6-13(10(2)7-9)17-14-8-11(15)4-5-12(14)16/h4-5,8-10,13,17H,3,6-7H2,1-2H3
InChIKeyFWCNTAFDNFKYNN-UHFFFAOYSA-N
MW239.31 g/mol
LogP4.20
Rot. Bonds2

About N-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline

N-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline (PubChem CID 64775137) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline
PubChem CID64775137
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline
SMILESCC1CCC(Nc2cc(F)ccc2F)C(C)C1
InChIInChI=1S/C14H19F2N/c1-9-3-6-13(10(2)7-9)17-14-8-11(15)4-5-12(14)16/h4-5,8-10,13,17H,3,6-7H2,1-2H3
InChIKeyFWCNTAFDNFKYNN-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-(2,4-dimethylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79768740
2,5-difluoro-N-(2-methylcyclopentyl)aniline
CID 65046744
2,5-difluoro-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376152
2-[(2,4-dimethylcyclohexyl)amino]-5-fluorobenzonitrile
CID 63996705
4-[(2,4-dimethylcyclohexyl)amino]-3-fluorobenzonitrile
CID 63996520
N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63995268
2-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline
CID 126973408
N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79769375
2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide
CID 63998408
N-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
CID 64762784
2-bromo-1-N-(2,4-dimethylcyclohexyl)benzene-1,4-diamine
CID 63996256
N-(2,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64775359

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline (CID 64775137) is N-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline is CC1CCC(Nc2cc(F)ccc2F)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline?
The InChIKey is FWCNTAFDNFKYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-9-3-6-13(10(2)7-9)17-14-8-11(15)4-5-12(14)16/h4-5,8-10,13,17H,3,6-7H2,1-2H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline?
N-(2,4-dimethylcyclohexyl)-2,5-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-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline is sourced from PubChem (CID 64775137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).