N-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine

C17H25F2N — CID 66475348

IUPACN-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1F)C1C(C)(C)C1(C)C
InChIInChI=1S/C17H25F2N/c1-6-9-20-14(15-16(2,3)17(15,4)5)12-10-11(18)7-8-13(12)19/h7-8,10,14-15,20H,6,9H2,1-5H3
InChIKeyOTECAJGPHBIMRQ-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.69
Rot. Bonds5

About N-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine

N-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine (PubChem CID 66475348) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
PubChem CID66475348
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC NameN-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1F)C1C(C)(C)C1(C)C
InChIInChI=1S/C17H25F2N/c1-6-9-20-14(15-16(2,3)17(15,4)5)12-10-11(18)7-8-13(12)19/h7-8,10,14-15,20H,6,9H2,1-5H3
InChIKeyOTECAJGPHBIMRQ-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66476113
N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
CID 65018553
N-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 107515524
N-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115852878
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
N-[(3-bromo-4-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 79747033
N-[(2-chloro-5-fluorophenyl)-(4,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 105395058
1-(2,5-difluorophenyl)-3-ethyl-N-propylpentan-1-amine
CID 82922427
N-[(4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105022703
N-[1-(2,5-difluorophenyl)-2,2-dimethoxyethyl]propan-1-amine
CID 79493374
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 62789509
N-[(2-bromo-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495714

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine (CID 66475348) is N-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine is CCCNC(c1cc(F)ccc1F)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The InChIKey is OTECAJGPHBIMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-6-9-20-14(15-16(2,3)17(15,4)5)12-10-11(18)7-8-13(12)19/h7-8,10,14-15,20H,6,9H2,1-5H3.
What are the key properties of N-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
N-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine has a molecular weight of 281.39 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 66475348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).