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

C17H25F2N — CID 65011198

IUPACN-[[1-(3,5-difluorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(c2cc(F)cc(F)c2)CC(CCC)C1
InChIInChI=1S/C17H25F2N/c1-3-5-13-10-17(11-13,12-20-6-4-2)14-7-15(18)9-16(19)8-14/h7-9,13,20H,3-6,10-12H2,1-2H3
InChIKeySDLPHQRTISHLBB-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.41
Rot. Bonds7

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

N-[[1-(3,5-difluorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine (PubChem CID 65011198) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is N-[[1-(3,5-difluorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3,5-difluorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine
PubChem CID65011198
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC NameN-[[1-(3,5-difluorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(c2cc(F)cc(F)c2)CC(CCC)C1
InChIInChI=1S/C17H25F2N/c1-3-5-13-10-17(11-13,12-20-6-4-2)14-7-15(18)9-16(19)8-14/h7-9,13,20H,3-6,10-12H2,1-2H3
InChIKeySDLPHQRTISHLBB-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methyl]propan-1-amine
CID 65014884
N-[[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]methyl]ethanamine
CID 64999135
N-[[1-(3-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014047
N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
CID 65011254
N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine
CID 113404857
1-[1-(3,5-difluorophenyl)-3-ethylcyclobutyl]-N-methylmethanamine
CID 64999894
N-[[1-(3,4-dimethylphenyl)-3-ethylcyclobutyl]methyl]propan-1-amine
CID 64999693
N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine
CID 65013812
N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
CID 65013702
N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62595001
N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine
CID 62595738
N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine
CID 65011194

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-difluorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3,5-difluorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine (CID 65011198) is N-[[1-(3,5-difluorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3,5-difluorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3,5-difluorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine is CCCNCC1(c2cc(F)cc(F)c2)CC(CCC)C1.
What is the InChIKey of N-[[1-(3,5-difluorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine?
The InChIKey is SDLPHQRTISHLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-3-5-13-10-17(11-13,12-20-6-4-2)14-7-15(18)9-16(19)8-14/h7-9,13,20H,3-6,10-12H2,1-2H3.
What are the key properties of N-[[1-(3,5-difluorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine?
N-[[1-(3,5-difluorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine has a molecular weight of 281.39 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-difluorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 65011198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).