N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline

C16H25FN2 — CID 61446915

IUPACN-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
SMILESCNCc1cc(F)ccc1N(C)CC1CCCCC1
InChIInChI=1S/C16H25FN2/c1-18-11-14-10-15(17)8-9-16(14)19(2)12-13-6-4-3-5-7-13/h8-10,13,18H,3-7,11-12H2,1-2H3
InChIKeyRDGGZLTUSKQGHM-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.56
Rot. Bonds5

About N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline

N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline (PubChem CID 61446915) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
PubChem CID61446915
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
SMILESCNCc1cc(F)ccc1N(C)CC1CCCCC1
InChIInChI=1S/C16H25FN2/c1-18-11-14-10-15(17)8-9-16(14)19(2)12-13-6-4-3-5-7-13/h8-10,13,18H,3-7,11-12H2,1-2H3
InChIKeyRDGGZLTUSKQGHM-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
CID 63713648
[2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol
CID 61446000
2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline
CID 63071507
N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline
CID 63630728
N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63059181
4-fluoro-N-methyl-N-(oxan-3-ylmethyl)-2-(propylaminomethyl)aniline
CID 63711217
N'-[4-fluoro-2-(methylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63698685
2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol
CID 60961049
N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 43313736
5-fluoro-2-[methyl(oxan-4-ylmethyl)amino]benzonitrile
CID 63707524
[5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol
CID 55175384
2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide
CID 63669000

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline?
The IUPAC name of N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline (CID 61446915) is N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline.
What is the SMILES notation for N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline?
The canonical SMILES for N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline is CNCc1cc(F)ccc1N(C)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline?
The InChIKey is RDGGZLTUSKQGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-18-11-14-10-15(17)8-9-16(14)19(2)12-13-6-4-3-5-7-13/h8-10,13,18H,3-7,11-12H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline?
N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline has a molecular weight of 264.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline is sourced from PubChem (CID 61446915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).