N-[[5-fluoro-2-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine

C16H26FNO2 — CID 107696798

IUPACN-[[5-fluoro-2-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCCOCCOc1ccc(F)cc1CNCC(C)C
InChIInChI=1S/C16H26FNO2/c1-4-7-19-8-9-20-16-6-5-15(17)10-14(16)12-18-11-13(2)3/h5-6,10,13,18H,4,7-9,11-12H2,1-3H3
InChIKeyVBUKEOBFQVEAOB-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.38
Rot. Bonds10

About N-[[5-fluoro-2-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[5-fluoro-2-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 107696798) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[[5-fluoro-2-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID107696798
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC NameN-[[5-fluoro-2-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCCOCCOc1ccc(F)cc1CNCC(C)C
InChIInChI=1S/C16H26FNO2/c1-4-7-19-8-9-20-16-6-5-15(17)10-14(16)12-18-11-13(2)3/h5-6,10,13,18H,4,7-9,11-12H2,1-3H3
InChIKeyVBUKEOBFQVEAOB-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.38
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-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine 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

N-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine
CID 107696863
N-[[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 107695842
N-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 107696753
N-[[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107696867
N-[[5-fluoro-2-(3-methylsulfonylpropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107696827
N-[[5-fluoro-2-(2-fluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63551058
N-[[5-fluoro-2-(3-fluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695992
N-[[4-(2-ethoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107688883
N-[(5-chloro-2-heptoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63486010
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
CID 81106035
2-[4-fluoro-2-[(2-methylpropylamino)methyl]phenoxy]propanenitrile
CID 107696719
N-[[5-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449718

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-fluoro-2-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 107696798) is N-[[5-fluoro-2-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-fluoro-2-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-fluoro-2-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine is CCCOCCOc1ccc(F)cc1CNCC(C)C.
What is the InChIKey of N-[[5-fluoro-2-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is VBUKEOBFQVEAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-4-7-19-8-9-20-16-6-5-15(17)10-14(16)12-18-11-13(2)3/h5-6,10,13,18H,4,7-9,11-12H2,1-3H3.
What are the key properties of N-[[5-fluoro-2-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[5-fluoro-2-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 283.39 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107696798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).