1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine

C18H22FNO — CID 107695266

IUPAC1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1OCCCCc1ccccc1
InChIInChI=1S/C18H22FNO/c1-20-14-16-13-17(19)10-11-18(16)21-12-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-11,13,20H,5-6,9,12,14H2,1H3
InChIKeyDDMREABOZYIKMO-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.95
Rot. Bonds8

About 1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine

1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine (PubChem CID 107695266) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine
PubChem CID107695266
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1OCCCCc1ccccc1
InChIInChI=1S/C18H22FNO/c1-20-14-16-13-17(19)10-11-18(16)21-12-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-11,13,20H,5-6,9,12,14H2,1H3
InChIKeyDDMREABOZYIKMO-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.95
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

2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine
CID 107699954
1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 43314262
1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 115492896
N-methyl-1-[5-nitro-2-(2-phenylethoxy)phenyl]methanamine
CID 43472675
1-fluoro-2-(4-phenylbutoxy)benzene
CID 91171700
1-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 106484539
1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine
CID 43314356
potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide
CID 113233035
1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine
CID 107695216
1-[2-(4-phenylbutoxy)phenyl]propan-2-amine
CID 114334354
N-[[5-fluoro-2-(3-fluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695992
3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol
CID 107695240

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine (CID 107695266) is 1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine is CNCc1cc(F)ccc1OCCCCc1ccccc1.
What is the InChIKey of 1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine?
The InChIKey is DDMREABOZYIKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-20-14-16-13-17(19)10-11-18(16)21-12-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-11,13,20H,5-6,9,12,14H2,1H3.
What are the key properties of 1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine?
1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine has a molecular weight of 287.38 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 107695266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).