N-[(2,6-difluoro-3-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine

C18H27F2N — CID 104989303

IUPACN-[(2,6-difluoro-3-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1c(F)ccc(C)c1F)C1CCC(C)C(C)C1
InChIInChI=1S/C18H27F2N/c1-5-21-18(14-8-6-11(2)13(4)10-14)16-15(19)9-7-12(3)17(16)20/h7,9,11,13-14,18,21H,5-6,8,10H2,1-4H3
InChIKeyJWRKNHTZUVXRMC-UHFFFAOYSA-N
MW295.42 g/mol
LogP5.00
Rot. Bonds4

About N-[(2,6-difluoro-3-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine

N-[(2,6-difluoro-3-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine (PubChem CID 104989303) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
PubChem CID104989303
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[(2,6-difluoro-3-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1c(F)ccc(C)c1F)C1CCC(C)C(C)C1
InChIInChI=1S/C18H27F2N/c1-5-21-18(14-8-6-11(2)13(4)10-14)16-15(19)9-7-12(3)17(16)20/h7,9,11,13-14,18,21H,5-6,8,10H2,1-4H3
InChIKeyJWRKNHTZUVXRMC-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 82822142
N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 82822378
N-[(2-bromo-3,4-difluorophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 107539367
[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233118
2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine
CID 82823061
N-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine
CID 64738432
N-[(3,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 64740441
N-[(3-bromo-2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 106942650
N-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 104989489
N-[(2,6-difluoro-3-methylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 82822964
N-[(2,3-difluoro-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 107513270
[(5-chloro-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine
CID 105312511

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine (CID 104989303) is N-[(2,6-difluoro-3-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-difluoro-3-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-difluoro-3-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine is CCNC(c1c(F)ccc(C)c1F)C1CCC(C)C(C)C1.
What is the InChIKey of N-[(2,6-difluoro-3-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine?
The InChIKey is JWRKNHTZUVXRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-5-21-18(14-8-6-11(2)13(4)10-14)16-15(19)9-7-12(3)17(16)20/h7,9,11,13-14,18,21H,5-6,8,10H2,1-4H3.
What are the key properties of N-[(2,6-difluoro-3-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine?
N-[(2,6-difluoro-3-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine has a molecular weight of 295.42 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-3-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 104989303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).