2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline

C13H17ClFN — CID 107527568

IUPAC2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(Nc2cc(F)ccc2Cl)C1
InChIInChI=1S/C13H17ClFN/c1-9-3-2-4-11(7-9)16-13-8-10(15)5-6-12(13)14/h5-6,8-9,11,16H,2-4,7H2,1H3
InChIKeyOGCNFLANJSCOHH-UHFFFAOYSA-N
MW241.74 g/mol
LogP4.47
Rot. Bonds2

About 2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline

2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline (PubChem CID 107527568) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline
PubChem CID107527568
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(Nc2cc(F)ccc2Cl)C1
InChIInChI=1S/C13H17ClFN/c1-9-3-2-4-11(7-9)16-13-8-10(15)5-6-12(13)14/h5-6,8-9,11,16H,2-4,7H2,1H3
InChIKeyOGCNFLANJSCOHH-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-difluoro-N-(3-methylcyclohexyl)aniline
CID 43104581
3-(2-chloro-5-fluoroanilino)cyclohexane-1-carboxylic acid
CID 107527659
2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline
CID 55193326
2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline
CID 64502485
N-(2-chloro-5-fluorophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 107527132
4-fluoro-N-(3-methylcyclohexyl)aniline
CID 43097581
2,5-difluoro-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376152
4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide
CID 43738737
2-chloro-4-iodo-N-(3-methylcyclohexyl)aniline
CID 43733640
2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline
CID 107527174
2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline
CID 43697984
4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43111567

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline (CID 107527568) is 2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline is CC1CCCC(Nc2cc(F)ccc2Cl)C1.
What is the InChIKey of 2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline?
The InChIKey is OGCNFLANJSCOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-9-3-2-4-11(7-9)16-13-8-10(15)5-6-12(13)14/h5-6,8-9,11,16H,2-4,7H2,1H3.
What are the key properties of 2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline?
2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline has a molecular weight of 241.74 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 107527568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).