2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine

C13H20FNO — CID 114940815

IUPAC2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCc1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-4-16-13(2,3)10-15-9-11-6-5-7-12(14)8-11/h5-8,15H,4,9-10H2,1-3H3
InChIKeyFEQXJJNQKBHLLG-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.73
Rot. Bonds6

About 2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine

2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine (PubChem CID 114940815) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
PubChem CID114940815
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCc1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-4-16-13(2,3)10-15-9-11-6-5-7-12(14)8-11/h5-8,15H,4,9-10H2,1-3H3
InChIKeyFEQXJJNQKBHLLG-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941490
N-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114940760
3-[[(2-ethoxy-2-methylpropyl)amino]methyl]benzonitrile
CID 114941202
3-chloro-N-[(3-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 115363424
5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897825
methyl 3-[(3-fluorophenyl)methylamino]-2-hydroxy-2-methylpropanoate
CID 113436474
2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 114941536
3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide
CID 115582738
2-ethyl-2-[[(3-fluorophenyl)methylamino]methyl]butanoic acid
CID 122129230
2-ethoxy-2-methyl-N-[(4-phenylphenyl)methyl]propan-1-amine
CID 114941062
N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine
CID 114940872
2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol
CID 111334411

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of 2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine (CID 114940815) is 2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for 2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine is CCOC(C)(C)CNCc1cccc(F)c1.
What is the InChIKey of 2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is FEQXJJNQKBHLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-16-13(2,3)10-15-9-11-6-5-7-12(14)8-11/h5-8,15H,4,9-10H2,1-3H3.
What are the key properties of 2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine?
2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114940815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).