N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine

C14H20FNO — CID 62714260

IUPACN-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CC1(C)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-14(11-3-5-13(15)6-4-11)9-12(14)10-16-7-8-17-2/h3-6,12,16H,7-10H2,1-2H3
InChIKeyBRHHHELUZUZIHA-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.34
Rot. Bonds6

About N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine

N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine (PubChem CID 62714260) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine
PubChem CID62714260
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CC1(C)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-14(11-3-5-13(15)6-4-11)9-12(14)10-16-7-8-17-2/h3-6,12,16H,7-10H2,1-2H3
InChIKeyBRHHHELUZUZIHA-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.34
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-[[2-(3-bromophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine
CID 55135134
N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
CID 62712800
2-methoxy-N-[(2-methyl-2-pyridin-2-ylcyclopropyl)methyl]ethanamine
CID 62714074
N-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine
CID 62713015
N-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine
CID 55138904
cis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine
CID 94419746
1-[2-(3-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine
CID 62703823
2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine
CID 62712841
N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62723780
2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 104819419
N-methyl-1-[(2R)-2-methyl-2-(4-methylphenyl)cyclopropyl]methanamine
CID 143290499
2-methoxy-N-[(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]ethanamine
CID 79248469

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine (CID 62714260) is N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine is COCCNCC1CC1(C)c1ccc(F)cc1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine?
The InChIKey is BRHHHELUZUZIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(11-3-5-13(15)6-4-11)9-12(14)10-16-7-8-17-2/h3-6,12,16H,7-10H2,1-2H3.
What are the key properties of N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine?
N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62714260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).