N-[(3,5-difluorophenyl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine

C13H17F2N — CID 103851702

IUPACN-[(3,5-difluorophenyl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine
SMILESCC1(C)CC1CNCc1cc(F)cc(F)c1
InChIInChI=1S/C13H17F2N/c1-13(2)6-10(13)8-16-7-9-3-11(14)5-12(15)4-9/h3-5,10,16H,6-8H2,1-2H3
InChIKeyMBDXKOSALLBQMA-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.10
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine

N-[(3,5-difluorophenyl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine (PubChem CID 103851702) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine
PubChem CID103851702
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC NameN-[(3,5-difluorophenyl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine
SMILESCC1(C)CC1CNCc1cc(F)cc(F)c1
InChIInChI=1S/C13H17F2N/c1-13(2)6-10(13)8-16-7-9-3-11(14)5-12(15)4-9/h3-5,10,16H,6-8H2,1-2H3
InChIKeyMBDXKOSALLBQMA-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylcyclopropyl)-N-(quinolin-3-ylmethyl)methanamine
CID 113234893
1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine
CID 103838354
1-(3-chlorocyclohexyl)-N-[(3,5-difluorophenyl)methyl]methanamine
CID 114146428
N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 114107748
1-(2,2-dimethylcyclopropyl)-N-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]methanamine
CID 103699453
N-[(3,5-difluorophenyl)methyl]adamantan-1-amine
CID 115978330
1-N-[(3,5-difluorophenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 113338369
N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine
CID 60752788
N-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905457
N-[(3,5-difluorophenyl)methyl]-3-methylbutan-1-amine
CID 21355559
5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile
CID 103699447
N-[[2-[(3-fluorophenyl)methyl]-2-methylcyclopropyl]methyl]ethanamine
CID 114834482

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine (CID 103851702) is N-[(3,5-difluorophenyl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine is CC1(C)CC1CNCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine?
The InChIKey is MBDXKOSALLBQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-13(2)6-10(13)8-16-7-9-3-11(14)5-12(15)4-9/h3-5,10,16H,6-8H2,1-2H3.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine?
N-[(3,5-difluorophenyl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine has a molecular weight of 225.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine is sourced from PubChem (CID 103851702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).