2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline

C16H24FN — CID 28968119

IUPAC2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline
SMILESCCCC1CCC(Nc2cc(C)ccc2F)CC1
InChIInChI=1S/C16H24FN/c1-3-4-13-6-8-14(9-7-13)18-16-11-12(2)5-10-15(16)17/h5,10-11,13-14,18H,3-4,6-9H2,1-2H3
InChIKeyKZRCQHLIRDJDAK-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.90
Rot. Bonds4

About 2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline

2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline (PubChem CID 28968119) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline
PubChem CID28968119
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline
SMILESCCCC1CCC(Nc2cc(C)ccc2F)CC1
InChIInChI=1S/C16H24FN/c1-3-4-13-6-8-14(9-7-13)18-16-11-12(2)5-10-15(16)17/h5,10-11,13-14,18H,3-4,6-9H2,1-2H3
InChIKeyKZRCQHLIRDJDAK-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine
CID 65087525
2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline
CID 43719007
3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline
CID 63455039
4-fluoro-2-N-(4-propylcyclohexyl)benzene-1,2-diamine
CID 62376796
N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine
CID 65091174
4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine
CID 55091365
2-fluoro-6-[(4-propylcyclohexyl)amino]benzenecarbothioamide
CID 79513531
2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline
CID 28967824
2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide
CID 43673699
N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine
CID 65086683
2,5-dimethyl-4-[(4-propylcyclohexyl)amino]phenol
CID 106954098
3-fluoro-4-methyl-5-[(4-propylcycloheptyl)amino]benzonitrile
CID 65086872

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline?
The IUPAC name of 2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline (CID 28968119) is 2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline.
What is the SMILES notation for 2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline?
The canonical SMILES for 2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline is CCCC1CCC(Nc2cc(C)ccc2F)CC1.
What is the InChIKey of 2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline?
The InChIKey is KZRCQHLIRDJDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-3-4-13-6-8-14(9-7-13)18-16-11-12(2)5-10-15(16)17/h5,10-11,13-14,18H,3-4,6-9H2,1-2H3.
What are the key properties of 2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline?
2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline has a molecular weight of 249.37 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline is sourced from PubChem (CID 28968119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).