N-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine

C18H27F2N — CID 107515524

IUPACN-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(F)c1F)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H27F2N/c1-7-10-21-15(16-17(3,4)18(16,5)6)12-9-8-11(2)13(19)14(12)20/h8-9,15-16,21H,7,10H2,1-6H3
InChIKeyOSAISQLQJVUALQ-UHFFFAOYSA-N
MW295.42 g/mol
LogP5.00
Rot. Bonds5

About N-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine

N-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine (PubChem CID 107515524) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
PubChem CID107515524
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(F)c1F)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H27F2N/c1-7-10-21-15(16-17(3,4)18(16,5)6)12-9-8-11(2)13(19)14(12)20/h8-9,15-16,21H,7,10H2,1-6H3
InChIKeyOSAISQLQJVUALQ-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66475348
N-[6-bicyclo[3.1.0]hexanyl-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine
CID 107515369
N-[(2-chloro-4,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 115484202
N-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 107515367
N-[(5-fluoro-2-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66476113
N-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 107516032
N-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66475549
N-[(3-bromo-4-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 79747033
N-[(2,3-difluoro-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 107513270
N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 102764112
N-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115852878
N-[(4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105022703

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine (CID 107515524) is N-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine is CCCNC(c1ccc(C)c(F)c1F)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The InChIKey is OSAISQLQJVUALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-7-10-21-15(16-17(3,4)18(16,5)6)12-9-8-11(2)13(19)14(12)20/h8-9,15-16,21H,7,10H2,1-6H3.
What are the key properties of N-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
N-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 107515524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).