N-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine

C16H22FNO — CID 65008662

IUPACN-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2cccc(F)c2)CC2(CC2)C1
InChIInChI=1S/C16H22FNO/c1-19-8-7-18-12-16(10-15(11-16)5-6-15)13-3-2-4-14(17)9-13/h2-4,9,18H,5-8,10-12H2,1H3
InChIKeyABAVSICEWFHDIL-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.87
Rot. Bonds6

About N-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine

N-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine (PubChem CID 65008662) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine
PubChem CID65008662
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2cccc(F)c2)CC2(CC2)C1
InChIInChI=1S/C16H22FNO/c1-19-8-7-18-12-16(10-15(11-16)5-6-15)13-3-2-4-14(17)9-13/h2-4,9,18H,5-8,10-12H2,1H3
InChIKeyABAVSICEWFHDIL-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.87
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-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine
CID 62596617
N-[[3-tert-butyl-1-(3-fluorophenyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 65014382
N-[[1-(3-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014047
N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine
CID 65007059
N-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine
CID 64997846
2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine
CID 65008191
N-[[5-(2-chloro-6-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine
CID 65008181
N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62595001
N-[[2-(2-chloro-4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]-2-methoxyethanamine
CID 65009132
N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine
CID 114199476
N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 64997970
N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine
CID 65003420

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine (CID 65008662) is N-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine is COCCNCC1(c2cccc(F)c2)CC2(CC2)C1.
What is the InChIKey of N-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is ABAVSICEWFHDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-19-8-7-18-12-16(10-15(11-16)5-6-15)13-3-2-4-14(17)9-13/h2-4,9,18H,5-8,10-12H2,1H3.
What are the key properties of N-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine?
N-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 263.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65008662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).