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

C17H25F2N — CID 82822378

IUPACN-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1c(F)ccc(C)c1F)C1CCCC(C)C1
InChIInChI=1S/C17H25F2N/c1-4-20-17(13-7-5-6-11(2)10-13)15-14(18)9-8-12(3)16(15)19/h8-9,11,13,17,20H,4-7,10H2,1-3H3
InChIKeyVPIYANYMOUXLJX-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.75
Rot. Bonds4

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

N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine (PubChem CID 82822378) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
PubChem CID82822378
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC NameN-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1c(F)ccc(C)c1F)C1CCCC(C)C1
InChIInChI=1S/C17H25F2N/c1-4-20-17(13-7-5-6-11(2)10-13)15-14(18)9-8-12(3)16(15)19/h8-9,11,13,17,20H,4-7,10H2,1-3H3
InChIKeyVPIYANYMOUXLJX-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.75
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)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 104989303
N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 55187004
[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233118
N-[(4-bromo-3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 106762415
2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine
CID 82823061
N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 63415343
N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 65313720
N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415800
N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 116506045
N-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine
CID 104992083
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114728259

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine (CID 82822378) is N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine is CCNC(c1c(F)ccc(C)c1F)C1CCCC(C)C1.
What is the InChIKey of N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine?
The InChIKey is VPIYANYMOUXLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-4-20-17(13-7-5-6-11(2)10-13)15-14(18)9-8-12(3)16(15)19/h8-9,11,13,17,20H,4-7,10H2,1-3H3.
What are the key properties of N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine?
N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine has a molecular weight of 281.39 g/mol, XLogP of 4.75, 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-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 82822378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).