3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline

C15H21F2N — CID 107447829

IUPAC3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCCC(Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H21F2N/c1-10(2)11-4-3-5-14(6-11)18-15-8-12(16)7-13(17)9-15/h7-11,14,18H,3-6H2,1-2H3
InChIKeyGOVXSDRVQULGHS-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.59
Rot. Bonds3

About 3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline

3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline (PubChem CID 107447829) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline
PubChem CID107447829
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCCC(Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H21F2N/c1-10(2)11-4-3-5-14(6-11)18-15-8-12(16)7-13(17)9-15/h7-11,14,18H,3-6H2,1-2H3
InChIKeyGOVXSDRVQULGHS-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 79055016
3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447823
3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427934
4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107571665
2-bromo-4,6-difluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447963
4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 107448399
N-(3-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-5-amine
CID 107447796
N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131668
methyl 2-fluoro-5-[(3-propan-2-ylcyclohexyl)amino]benzoate
CID 107448128
3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560797
N-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087825
2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447775

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline (CID 107447829) is 3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline is CC(C)C1CCCC(Nc2cc(F)cc(F)c2)C1.
What is the InChIKey of 3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline?
The InChIKey is GOVXSDRVQULGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-10(2)11-4-3-5-14(6-11)18-15-8-12(16)7-13(17)9-15/h7-11,14,18H,3-6H2,1-2H3.
What are the key properties of 3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline?
3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline has a molecular weight of 253.34 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 107447829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).