N-[[1-(2-fluorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methoxyethanamine

C17H26FNO — CID 65017193

IUPACN-[[1-(2-fluorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2ccccc2F)CC(C(C)C)C1
InChIInChI=1S/C17H26FNO/c1-13(2)14-10-17(11-14,12-19-8-9-20-3)15-6-4-5-7-16(15)18/h4-7,13-14,19H,8-12H2,1-3H3
InChIKeyQAIDNIMLXGYNNM-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.37
Rot. Bonds7

About N-[[1-(2-fluorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methoxyethanamine

N-[[1-(2-fluorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methoxyethanamine (PubChem CID 65017193) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methoxyethanamine
PubChem CID65017193
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[[1-(2-fluorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2ccccc2F)CC(C(C)C)C1
InChIInChI=1S/C17H26FNO/c1-13(2)14-10-17(11-14,12-19-8-9-20-3)15-6-4-5-7-16(15)18/h4-7,13-14,19H,8-12H2,1-3H3
InChIKeyQAIDNIMLXGYNNM-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.37
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

N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
CID 65013702
N-[[1-(3-chloro-2-fluorophenyl)-3-methylcyclobutyl]methyl]-2-methoxyethanamine
CID 82805738
N-[[1-(3-chloro-2-fluorophenyl)-3-propan-2-ylcyclobutyl]methyl]propan-1-amine
CID 82806103
N-[[1-(2-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014533
N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine
CID 65013584
2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine
CID 62596033
1-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)cyclopropan-1-amine
CID 115920775
N-[[5-(2-chloro-6-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine
CID 65008181
2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596424
N-[[1-(2-chloro-4-fluorophenyl)-3-ethylcyclobutyl]methyl]-2-methoxyethanamine
CID 64999342
N-[[3-tert-butyl-1-(3-fluorophenyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 65014382
N-[[1-(2,4-dichlorophenyl)-3-ethylcyclobutyl]methyl]-2-methoxyethanamine
CID 64997475

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2-fluorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methoxyethanamine (CID 65017193) is N-[[1-(2-fluorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2-fluorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2-fluorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methoxyethanamine is COCCNCC1(c2ccccc2F)CC(C(C)C)C1.
What is the InChIKey of N-[[1-(2-fluorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methoxyethanamine?
The InChIKey is QAIDNIMLXGYNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-13(2)14-10-17(11-14,12-19-8-9-20-3)15-6-4-5-7-16(15)18/h4-7,13-14,19H,8-12H2,1-3H3.
What are the key properties of N-[[1-(2-fluorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methoxyethanamine?
N-[[1-(2-fluorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methoxyethanamine has a molecular weight of 279.40 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65017193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).