N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine

C17H28FNO2 — CID 107696956

IUPACN-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine
SMILESCCCCCCCOc1ccc(F)cc1CNCCOC
InChIInChI=1S/C17H28FNO2/c1-3-4-5-6-7-11-21-17-9-8-16(18)13-15(17)14-19-10-12-20-2/h8-9,13,19H,3-7,10-12,14H2,1-2H3
InChIKeyCWZLOCZAKHOYFN-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.91
Rot. Bonds12

About N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine

N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine (PubChem CID 107696956) has the molecular formula C17H28FNO2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine
PubChem CID107696956
Molecular FormulaC17H28FNO2
Molecular Weight297.41 g/mol
Exact Mass297.21
IUPAC NameN-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine
SMILESCCCCCCCOc1ccc(F)cc1CNCCOC
InChIInChI=1S/C17H28FNO2/c1-3-4-5-6-7-11-21-17-9-8-16(18)13-15(17)14-19-10-12-20-2/h8-9,13,19H,3-7,10-12,14H2,1-2H3
InChIKeyCWZLOCZAKHOYFN-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-ol
CID 107696990
N-[[2-(3-ethylsulfanylpropoxy)-5-fluorophenyl]methyl]-2-methoxyethanamine
CID 107696885
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
N-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine
CID 107696863
4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile
CID 107696907
N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107696982
N-[[5-fluoro-2-(3-fluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695992
N-[[5-fluoro-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107696997
N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 107695941
N-[[5-fluoro-2-(2-methoxypropoxy)phenyl]methyl]-2-methoxyethanamine
CID 107697107
1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107697135
(5-fluoro-2-hexoxyphenyl)methanol
CID 91657337

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine (CID 107696956) is N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine is CCCCCCCOc1ccc(F)cc1CNCCOC.
What is the InChIKey of N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine?
The InChIKey is CWZLOCZAKHOYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO2/c1-3-4-5-6-7-11-21-17-9-8-16(18)13-15(17)14-19-10-12-20-2/h8-9,13,19H,3-7,10-12,14H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine?
N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine has a molecular weight of 297.41 g/mol, XLogP of 3.91, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 107696956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).