N-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine

C13H20FNO — CID 80699310

IUPACN-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)ccc1OCCF
InChIInChI=1S/C13H20FNO/c1-3-7-15-10-12-9-11(2)4-5-13(12)16-8-6-14/h4-5,9,15H,3,6-8,10H2,1-2H3
InChIKeyUCLYNWWZQYEHQZ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.84
Rot. Bonds7

About N-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine

N-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine (PubChem CID 80699310) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine
PubChem CID80699310
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)ccc1OCCF
InChIInChI=1S/C13H20FNO/c1-3-7-15-10-12-9-11(2)4-5-13(12)16-8-6-14/h4-5,9,15H,3,6-8,10H2,1-2H3
InChIKeyUCLYNWWZQYEHQZ-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.84
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

N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine
CID 63323300
N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 80698832
N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 63323050
N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine
CID 63486581
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
CID 97179196
N-[[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 103177793
N-[[5-fluoro-2-(3-fluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695992
N-[(5-methyl-2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 63323347
N-[[5-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527230
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
CID 81106035
N-[[5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 102999785
5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol
CID 55204167

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine (CID 80699310) is N-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine is CCCNCc1cc(C)ccc1OCCF.
What is the InChIKey of N-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine?
The InChIKey is UCLYNWWZQYEHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-7-15-10-12-9-11(2)4-5-13(12)16-8-6-14/h4-5,9,15H,3,6-8,10H2,1-2H3.
What are the key properties of N-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine?
N-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine is sourced from PubChem (CID 80699310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).