2,5-difluoro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline

C18H27F2N — CID 103584995

IUPAC2,5-difluoro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
SMILESCCC(C)(C)C1CCC(Nc2cc(F)c(C)cc2F)CC1
InChIInChI=1S/C18H27F2N/c1-5-18(3,4)13-6-8-14(9-7-13)21-17-11-15(19)12(2)10-16(17)20/h10-11,13-14,21H,5-9H2,1-4H3
InChIKeyUOFZIXKCZGLSKF-UHFFFAOYSA-N
MW295.42 g/mol
LogP5.68
Rot. Bonds4

About 2,5-difluoro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline

2,5-difluoro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline (PubChem CID 103584995) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is 2,5-difluoro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline.

Molecular Properties

Compound Name2,5-difluoro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
PubChem CID103584995
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2,5-difluoro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
SMILESCCC(C)(C)C1CCC(Nc2cc(F)c(C)cc2F)CC1
InChIInChI=1S/C18H27F2N/c1-5-18(3,4)13-6-8-14(9-7-13)21-17-11-15(19)12(2)10-16(17)20/h10-11,13-14,21H,5-9H2,1-4H3
InChIKeyUOFZIXKCZGLSKF-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.42
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-4-fluoro-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63422035
3-chloro-2-fluoro-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63422219
2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile
CID 43400425
2-fluoro-5-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile
CID 63476589
3-chloro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63418757
3-ethoxy-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridin-4-amine
CID 19694045
4-bromo-2-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63423181
N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline
CID 103584848
N-[(5-chloro-2-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114841579
N-(2,5-difluoro-4-methylphenyl)-2-ethyloxan-4-amine
CID 103585048
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid
CID 43322139
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-nitroaniline
CID 43225012

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline?
The IUPAC name of 2,5-difluoro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline (CID 103584995) is 2,5-difluoro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline.
What is the SMILES notation for 2,5-difluoro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline?
The canonical SMILES for 2,5-difluoro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline is CCC(C)(C)C1CCC(Nc2cc(F)c(C)cc2F)CC1.
What is the InChIKey of 2,5-difluoro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline?
The InChIKey is UOFZIXKCZGLSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-5-18(3,4)13-6-8-14(9-7-13)21-17-11-15(19)12(2)10-16(17)20/h10-11,13-14,21H,5-9H2,1-4H3.
What are the key properties of 2,5-difluoro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline?
2,5-difluoro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline has a molecular weight of 295.42 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline is sourced from PubChem (CID 103584995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).