N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine

C17H25ClFN — CID 142229293

IUPACN-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(CNCc2c(F)ccc(C)c2Cl)CC1
InChIInChI=1S/C17H25ClFN/c1-3-13-5-7-14(8-6-13)10-20-11-15-16(19)9-4-12(2)17(15)18/h4,9,13-14,20H,3,5-8,10-11H2,1-2H3
InChIKeyBDJSBLGLISGLJA-UHFFFAOYSA-N
MW297.84 g/mol
LogP5.09
Rot. Bonds5

About N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine

N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine (PubChem CID 142229293) has the molecular formula C17H25ClFN and a molecular weight of 297.84 g/mol. Its IUPAC name is N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
PubChem CID142229293
Molecular FormulaC17H25ClFN
Molecular Weight297.84 g/mol
Exact Mass297.17
IUPAC NameN-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(CNCc2c(F)ccc(C)c2Cl)CC1
InChIInChI=1S/C17H25ClFN/c1-3-13-5-7-14(8-6-13)10-20-11-15-16(19)9-4-12(2)17(15)18/h4,9,13-14,20H,3,5-8,10-11H2,1-2H3
InChIKeyBDJSBLGLISGLJA-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.84
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 106816651
1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 63451508
N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
CID 104853922
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 114842332
1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine
CID 43370931
1-(4-ethylcyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 63451562
1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
CID 102876292
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 79420343
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 43215545
1-(4-ethylcyclohexyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 55192164
4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213421

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine?
The IUPAC name of N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine (CID 142229293) is N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine.
What is the SMILES notation for N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine?
The canonical SMILES for N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine is CCC1CCC(CNCc2c(F)ccc(C)c2Cl)CC1.
What is the InChIKey of N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine?
The InChIKey is BDJSBLGLISGLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-3-13-5-7-14(8-6-13)10-20-11-15-16(19)9-4-12(2)17(15)18/h4,9,13-14,20H,3,5-8,10-11H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine?
N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine has a molecular weight of 297.84 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine is sourced from PubChem (CID 142229293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).