N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine

C13H20FNO2 — CID 81107388

IUPACN-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)cc1OCCCF
InChIInChI=1S/C13H20FNO2/c1-3-15-10-11-5-6-12(16-2)9-13(11)17-8-4-7-14/h5-6,9,15H,3-4,7-8,10H2,1-2H3
InChIKeyDKCXORRDBKGIKU-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.54
Rot. Bonds8

About N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine

N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine (PubChem CID 81107388) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine
PubChem CID81107388
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC NameN-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)cc1OCCCF
InChIInChI=1S/C13H20FNO2/c1-3-15-10-11-5-6-12(16-2)9-13(11)17-8-4-7-14/h5-6,9,15H,3-4,7-8,10H2,1-2H3
InChIKeyDKCXORRDBKGIKU-UHFFFAOYSA-N
XLogP2.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.54
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-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]methyl]ethanamine
CID 115513169
N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 81107025
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropropan-1-amine
CID 81105409
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 54935590
N-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine
CID 61269264
1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol
CID 114491840
N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215620
N-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine
CID 79168380
methyl 4-[5-methoxy-2-(propylaminomethyl)phenoxy]butanoate
CID 61269092
N-[[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine
CID 62070630
N-[(2,4-diethoxyphenyl)methyl]ethanamine
CID 54804724
2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 63058855

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine (CID 81107388) is N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine is CCNCc1ccc(OC)cc1OCCCF.
What is the InChIKey of N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine?
The InChIKey is DKCXORRDBKGIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-3-15-10-11-5-6-12(16-2)9-13(11)17-8-4-7-14/h5-6,9,15H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine?
N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine has a molecular weight of 241.31 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 81107388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).