N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine

C15H24FNO2 — CID 103179199

IUPACN-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine
SMILESCOCCCOCCNCc1cc(C)c(F)c(C)c1
InChIInChI=1S/C15H24FNO2/c1-12-9-14(10-13(2)15(12)16)11-17-5-8-19-7-4-6-18-3/h9-10,17H,4-8,11H2,1-3H3
InChIKeyQCUSHTBYMSKWPQ-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.59
Rot. Bonds9

About N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine

N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine (PubChem CID 103179199) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine
PubChem CID103179199
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC NameN-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine
SMILESCOCCCOCCNCc1cc(C)c(F)c(C)c1
InChIInChI=1S/C15H24FNO2/c1-12-9-14(10-13(2)15(12)16)11-17-5-8-19-7-4-6-18-3/h9-10,17H,4-8,11H2,1-3H3
InChIKeyQCUSHTBYMSKWPQ-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 62120248
5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65305831
[3-[[2-(3-methoxypropoxy)ethylamino]methyl]phenyl]methanol
CID 107230478
N-[(3-bromophenyl)methyl]-2-(3-methoxypropoxy)ethanamine
CID 103178728
N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine
CID 113232261
2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol
CID 115680060
N-[(3-fluoro-4-methylphenyl)methyl]-5-methoxypentan-1-amine
CID 103654079
N-[(3,5-dimethyl-4-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 63062027
2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine
CID 104561561
N-[(4-chloro-3-methylphenyl)methyl]-3-methoxypropan-1-amine
CID 103990923
N-[(4-methoxy-3-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 82942119
N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine
CID 107513371

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine?
The IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine (CID 103179199) is N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine.
What is the SMILES notation for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine?
The canonical SMILES for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine is COCCCOCCNCc1cc(C)c(F)c(C)c1.
What is the InChIKey of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine?
The InChIKey is QCUSHTBYMSKWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-12-9-14(10-13(2)15(12)16)11-17-5-8-19-7-4-6-18-3/h9-10,17H,4-8,11H2,1-3H3.
What are the key properties of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine?
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine has a molecular weight of 269.36 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine is sourced from PubChem (CID 103179199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).