N-[[1-(2,4-difluorophenyl)-3-ethylcyclobutyl]methyl]cyclopropanamine

C16H21F2N — CID 64999495

IUPACN-[[1-(2,4-difluorophenyl)-3-ethylcyclobutyl]methyl]cyclopropanamine
SMILESCCC1CC(CNC2CC2)(c2ccc(F)cc2F)C1
InChIInChI=1S/C16H21F2N/c1-2-11-8-16(9-11,10-19-13-4-5-13)14-6-3-12(17)7-15(14)18/h3,6-7,11,13,19H,2,4-5,8-10H2,1H3
InChIKeyUBMKZOOKEBYGTM-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.77
Rot. Bonds5

About N-[[1-(2,4-difluorophenyl)-3-ethylcyclobutyl]methyl]cyclopropanamine

N-[[1-(2,4-difluorophenyl)-3-ethylcyclobutyl]methyl]cyclopropanamine (PubChem CID 64999495) has the molecular formula C16H21F2N and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)-3-ethylcyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)-3-ethylcyclobutyl]methyl]cyclopropanamine
PubChem CID64999495
Molecular FormulaC16H21F2N
Molecular Weight265.35 g/mol
Exact Mass265.16
IUPAC NameN-[[1-(2,4-difluorophenyl)-3-ethylcyclobutyl]methyl]cyclopropanamine
SMILESCCC1CC(CNC2CC2)(c2ccc(F)cc2F)C1
InChIInChI=1S/C16H21F2N/c1-2-11-8-16(9-11,10-19-13-4-5-13)14-6-3-12(17)7-15(14)18/h3,6-7,11,13,19H,2,4-5,8-10H2,1H3
InChIKeyUBMKZOOKEBYGTM-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]cyclohexane-1-carboxylic acid
CID 122032249
N-[[1-(2-chloro-4-fluorophenyl)-3-ethylcyclobutyl]methyl]-2-methoxyethanamine
CID 64999342
ethylcyclopropane;1,2,4-trifluorobenzene
CID 157032368
1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene
CID 135292727
N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]cyclopropanamine
CID 65013814
1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869258
N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906967
N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 64560260
N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine
CID 64999494
1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol
CID 62772825
1-[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]-N-methylmethanamine
CID 64999894
ethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate
CID 110479352

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)-3-ethylcyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,4-difluorophenyl)-3-ethylcyclobutyl]methyl]cyclopropanamine (CID 64999495) is N-[[1-(2,4-difluorophenyl)-3-ethylcyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)-3-ethylcyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)-3-ethylcyclobutyl]methyl]cyclopropanamine is CCC1CC(CNC2CC2)(c2ccc(F)cc2F)C1.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)-3-ethylcyclobutyl]methyl]cyclopropanamine?
The InChIKey is UBMKZOOKEBYGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N/c1-2-11-8-16(9-11,10-19-13-4-5-13)14-6-3-12(17)7-15(14)18/h3,6-7,11,13,19H,2,4-5,8-10H2,1H3.
What are the key properties of N-[[1-(2,4-difluorophenyl)-3-ethylcyclobutyl]methyl]cyclopropanamine?
N-[[1-(2,4-difluorophenyl)-3-ethylcyclobutyl]methyl]cyclopropanamine has a molecular weight of 265.35 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)-3-ethylcyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 64999495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).