N-(3,4-dimethylcyclohexyl)-3-fluoroaniline

C14H20FN — CID 64731978

IUPACN-(3,4-dimethylcyclohexyl)-3-fluoroaniline
SMILESCC1CCC(Nc2cccc(F)c2)CC1C
InChIInChI=1S/C14H20FN/c1-10-6-7-14(8-11(10)2)16-13-5-3-4-12(15)9-13/h3-5,9-11,14,16H,6-8H2,1-2H3
InChIKeyCNAPUDCHCXYLNL-UHFFFAOYSA-N
MW221.32 g/mol
LogP4.06
Rot. Bonds2

About N-(3,4-dimethylcyclohexyl)-3-fluoroaniline

N-(3,4-dimethylcyclohexyl)-3-fluoroaniline (PubChem CID 64731978) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-3-fluoroaniline.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-3-fluoroaniline
PubChem CID64731978
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-(3,4-dimethylcyclohexyl)-3-fluoroaniline
SMILESCC1CCC(Nc2cccc(F)c2)CC1C
InChIInChI=1S/C14H20FN/c1-10-6-7-14(8-11(10)2)16-13-5-3-4-12(15)9-13/h3-5,9-11,14,16H,6-8H2,1-2H3
InChIKeyCNAPUDCHCXYLNL-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline
CID 64731999
N-[3-[(3,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide
CID 64732200
N-(3,4-dimethylcyclohexyl)-3-(1,2,4-triazol-4-yl)aniline
CID 64732793
3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 64734342
3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560797
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81365167
1-N-(3,4-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 64740874
4-chloro-N-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 64731814
4-[(3,4-dimethylcyclohexyl)amino]-2-fluorobenzoic acid
CID 115485504
N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64731599
N-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-amine
CID 64741980
1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine
CID 64738718

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-3-fluoroaniline?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-3-fluoroaniline (CID 64731978) is N-(3,4-dimethylcyclohexyl)-3-fluoroaniline.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-3-fluoroaniline?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-3-fluoroaniline is CC1CCC(Nc2cccc(F)c2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-3-fluoroaniline?
The InChIKey is CNAPUDCHCXYLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10-6-7-14(8-11(10)2)16-13-5-3-4-12(15)9-13/h3-5,9-11,14,16H,6-8H2,1-2H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-3-fluoroaniline?
N-(3,4-dimethylcyclohexyl)-3-fluoroaniline has a molecular weight of 221.32 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-3-fluoroaniline is sourced from PubChem (CID 64731978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).