N-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline

C15H22FN — CID 64722393

IUPACN-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline
SMILESCc1ccc(F)cc1NC1CC(C)CC(C)C1
InChIInChI=1S/C15H22FN/c1-10-6-11(2)8-14(7-10)17-15-9-13(16)5-4-12(15)3/h4-5,9-11,14,17H,6-8H2,1-3H3
InChIKeyLAVPECXARRRXLM-UHFFFAOYSA-N
MW235.35 g/mol
LogP4.37
Rot. Bonds2

About N-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline

N-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline (PubChem CID 64722393) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline
PubChem CID64722393
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline
SMILESCc1ccc(F)cc1NC1CC(C)CC(C)C1
InChIInChI=1S/C15H22FN/c1-10-6-11(2)8-14(7-10)17-15-9-13(16)5-4-12(15)3/h4-5,9-11,14,17H,6-8H2,1-3H3
InChIKeyLAVPECXARRRXLM-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline
CID 43633732
N-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine
CID 79942337
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 43512844
N-(3,5-dimethylcyclohexyl)-2,3,5-trifluoroaniline
CID 64750651
3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide
CID 64753179
2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
CID 102990439
2,5-difluoro-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376152
tert-butyl N-[3-(5-fluoro-2-methylanilino)cyclobutyl]carbamate
CID 80559248
N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115968236
4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol
CID 64750853
N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline
CID 64752738
5-bromo-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline
CID 43729668

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline (CID 64722393) is N-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline is Cc1ccc(F)cc1NC1CC(C)CC(C)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline?
The InChIKey is LAVPECXARRRXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-10-6-11(2)8-14(7-10)17-15-9-13(16)5-4-12(15)3/h4-5,9-11,14,17H,6-8H2,1-3H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline?
N-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline has a molecular weight of 235.35 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline is sourced from PubChem (CID 64722393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).