N-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine

C17H23F2N — CID 107515369

IUPACN-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(F)c1F)C1C2CCCC21
InChIInChI=1S/C17H23F2N/c1-3-9-20-17(14-11-5-4-6-12(11)14)13-8-7-10(2)15(18)16(13)19/h7-8,11-12,14,17,20H,3-6,9H2,1-2H3
InChIKeyORBOTAYWHLGHJF-UHFFFAOYSA-N
MW279.37 g/mol
LogP4.36
Rot. Bonds5

About N-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine

N-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine (PubChem CID 107515369) has the molecular formula C17H23F2N and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine
PubChem CID107515369
Molecular FormulaC17H23F2N
Molecular Weight279.37 g/mol
Exact Mass279.18
IUPAC NameN-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(F)c1F)C1C2CCCC21
InChIInChI=1S/C17H23F2N/c1-3-9-20-17(14-11-5-4-6-12(11)14)13-8-7-10(2)15(18)16(13)19/h7-8,11-12,14,17,20H,3-6,9H2,1-2H3
InChIKeyORBOTAYWHLGHJF-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 107515367
N-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 107515524
N-[6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792664
N-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 107516032
N-[(2,3-difluoro-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 107513270
N-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine
CID 115791823
N-[7-bicyclo[4.1.0]heptanyl-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 115851206
N-[7-bicyclo[4.1.0]heptanyl-(4-bromo-5-chloro-2-fluorophenyl)methyl]propan-1-amine
CID 105399168
N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105377335
N-[6-bicyclo[3.1.0]hexanyl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102758124
N-[6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105033146
N-[6-bicyclo[3.1.0]hexanyl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115850627

Frequently Asked Questions

What is the IUPAC name of N-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine (CID 107515369) is N-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C)c(F)c1F)C1C2CCCC21.
What is the InChIKey of N-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine?
The InChIKey is ORBOTAYWHLGHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N/c1-3-9-20-17(14-11-5-4-6-12(11)14)13-8-7-10(2)15(18)16(13)19/h7-8,11-12,14,17,20H,3-6,9H2,1-2H3.
What are the key properties of N-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine?
N-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine has a molecular weight of 279.37 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 107515369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).