N-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine

C15H22FNO — CID 43633919

IUPACN-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine
SMILESCCOCCCNC1CC(c2ccccc2F)C1
InChIInChI=1S/C15H22FNO/c1-2-18-9-5-8-17-13-10-12(11-13)14-6-3-4-7-15(14)16/h3-4,6-7,12-13,17H,2,5,8-11H2,1H3
InChIKeySWKXCXAPXMVKGW-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.09
Rot. Bonds7

About N-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine

N-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine (PubChem CID 43633919) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine
PubChem CID43633919
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine
SMILESCCOCCCNC1CC(c2ccccc2F)C1
InChIInChI=1S/C15H22FNO/c1-2-18-9-5-8-17-13-10-12(11-13)14-6-3-4-7-15(14)16/h3-4,6-7,12-13,17H,2,5,8-11H2,1H3
InChIKeySWKXCXAPXMVKGW-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate
CID 60782595
3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
CID 82941727
3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
CID 43634781
5-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanamide
CID 106233343
3-(2-bromophenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
CID 82940585
N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine
CID 43512854
ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]acetate
CID 54921064
N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634729
N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 43635354
N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634549
N-(2-cyclopropylpropyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 113384039
1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol
CID 65107731

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine (CID 43633919) is N-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine is CCOCCCNC1CC(c2ccccc2F)C1.
What is the InChIKey of N-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine?
The InChIKey is SWKXCXAPXMVKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-2-18-9-5-8-17-13-10-12(11-13)14-6-3-4-7-15(14)16/h3-4,6-7,12-13,17H,2,5,8-11H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine?
N-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 43633919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).