N-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline

C17H27FN2 — CID 63494586

IUPACN-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline
SMILESCCN(CC1(CNC)CCCCC1)c1cccc(F)c1
InChIInChI=1S/C17H27FN2/c1-3-20(16-9-7-8-15(18)12-16)14-17(13-19-2)10-5-4-6-11-17/h7-9,12,19H,3-6,10-11,13-14H2,1-2H3
InChIKeySYNXLIILJIKPKN-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.82
Rot. Bonds6

About N-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline

N-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline (PubChem CID 63494586) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline
PubChem CID63494586
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC NameN-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline
SMILESCCN(CC1(CNC)CCCCC1)c1cccc(F)c1
InChIInChI=1S/C17H27FN2/c1-3-20(16-9-7-8-15(18)12-16)14-17(13-19-2)10-5-4-6-11-17/h7-9,12,19H,3-6,10-11,13-14H2,1-2H3
InChIKeySYNXLIILJIKPKN-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63495148
N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline
CID 65003098
N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline
CID 63129780
[3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol
CID 63745907
N-ethyl-3-fluoro-N-[(2-propylpyrrolidin-2-yl)methyl]aniline
CID 106976356
[1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol
CID 62272788
N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline
CID 79842644
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide
CID 104678073
2-(3-fluorophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115267551
2-(3-fluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244944
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline
CID 115449003
N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 55074213

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline?
The IUPAC name of N-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline (CID 63494586) is N-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline.
What is the SMILES notation for N-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline?
The canonical SMILES for N-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline is CCN(CC1(CNC)CCCCC1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline?
The InChIKey is SYNXLIILJIKPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-20(16-9-7-8-15(18)12-16)14-17(13-19-2)10-5-4-6-11-17/h7-9,12,19H,3-6,10-11,13-14H2,1-2H3.
What are the key properties of N-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline?
N-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline has a molecular weight of 278.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline is sourced from PubChem (CID 63494586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).