2-chloro-5-fluoro-4-methyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline

C15H22ClFN2 — CID 134477141

IUPAC2-chloro-5-fluoro-4-methyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline
SMILESCNC1CCC(CNc2cc(F)c(C)cc2Cl)CC1
InChIInChI=1S/C15H22ClFN2/c1-10-7-13(16)15(8-14(10)17)19-9-11-3-5-12(18-2)6-4-11/h7-8,11-12,18-19H,3-6,9H2,1-2H3
InChIKeyQVAGUOOVSTZGPF-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.98
Rot. Bonds4

About 2-chloro-5-fluoro-4-methyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline

2-chloro-5-fluoro-4-methyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline (PubChem CID 134477141) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-methyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-methyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline
PubChem CID134477141
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name2-chloro-5-fluoro-4-methyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline
SMILESCNC1CCC(CNc2cc(F)c(C)cc2Cl)CC1
InChIInChI=1S/C15H22ClFN2/c1-10-7-13(16)15(8-14(10)17)19-9-11-3-5-12(18-2)6-4-11/h7-8,11-12,18-19H,3-6,9H2,1-2H3
InChIKeyQVAGUOOVSTZGPF-UHFFFAOYSA-N
XLogP3.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-methyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline?
The IUPAC name of 2-chloro-5-fluoro-4-methyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline (CID 134477141) is 2-chloro-5-fluoro-4-methyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline.
What is the SMILES notation for 2-chloro-5-fluoro-4-methyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline?
The canonical SMILES for 2-chloro-5-fluoro-4-methyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline is CNC1CCC(CNc2cc(F)c(C)cc2Cl)CC1.
What is the InChIKey of 2-chloro-5-fluoro-4-methyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline?
The InChIKey is QVAGUOOVSTZGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-10-7-13(16)15(8-14(10)17)19-9-11-3-5-12(18-2)6-4-11/h7-8,11-12,18-19H,3-6,9H2,1-2H3.
What are the key properties of 2-chloro-5-fluoro-4-methyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline?
2-chloro-5-fluoro-4-methyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline has a molecular weight of 284.81 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-methyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline is sourced from PubChem (CID 134477141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).