N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline

C14H19F2N — CID 66962258

IUPACN-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline
SMILESCN(CC1CCCCC1)c1cccc(F)c1F
InChIInChI=1S/C14H19F2N/c1-17(10-11-6-3-2-4-7-11)13-9-5-8-12(15)14(13)16/h5,8-9,11H,2-4,6-7,10H2,1H3
InChIKeyPDBKQGCIEDKODV-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.98
Rot. Bonds3

About N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline

N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline (PubChem CID 66962258) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline
PubChem CID66962258
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline
SMILESCN(CC1CCCCC1)c1cccc(F)c1F
InChIInChI=1S/C14H19F2N/c1-17(10-11-6-3-2-4-7-11)13-9-5-8-12(15)14(13)16/h5,8-9,11H,2-4,6-7,10H2,1H3
InChIKeyPDBKQGCIEDKODV-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile
CID 112822772
2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzenecarbothioamide
CID 79513340
2-[cyclobutylmethyl(methyl)amino]-6-fluorobenzenecarbothioamide
CID 79519658
4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline
CID 107932908
N-[(3-aminocyclohexyl)methyl]-2-fluoro-N-methylaniline
CID 63047164
3-chloro-2-(chloromethyl)-N-(cyclohexylmethyl)-N-methylaniline
CID 55222137
4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 107532385
4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63630716
3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine
CID 104540064
2-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 61446190
(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol
CID 78940236
N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81214502

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline?
The IUPAC name of N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline (CID 66962258) is N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline.
What is the SMILES notation for N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline?
The canonical SMILES for N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline is CN(CC1CCCCC1)c1cccc(F)c1F.
What is the InChIKey of N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline?
The InChIKey is PDBKQGCIEDKODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-17(10-11-6-3-2-4-7-11)13-9-5-8-12(15)14(13)16/h5,8-9,11H,2-4,6-7,10H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline?
N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline has a molecular weight of 239.31 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline is sourced from PubChem (CID 66962258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).