1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine

C14H23FN2O — CID 114526348

IUPAC1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cccc(F)c1OCCCN(C)C
InChIInChI=1S/C14H23FN2O/c1-11(16)10-12-6-4-7-13(15)14(12)18-9-5-8-17(2)3/h4,6-7,11H,5,8-10,16H2,1-3H3
InChIKeyQEIKXKDGLPHZMN-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.05
Rot. Bonds7

About 1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine

1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine (PubChem CID 114526348) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine
PubChem CID114526348
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cccc(F)c1OCCCN(C)C
InChIInChI=1S/C14H23FN2O/c1-11(16)10-12-6-4-7-13(15)14(12)18-9-5-8-17(2)3/h4,6-7,11H,5,8-10,16H2,1-3H3
InChIKeyQEIKXKDGLPHZMN-UHFFFAOYSA-N
XLogP2.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.05
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

1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615799
1-(3-fluoro-2-octoxyphenyl)propan-2-amine
CID 115958573
N-[[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 114524923
1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine
CID 115958617
1-[3-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 115958668
2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile
CID 112615861
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 115958626
4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 112615925
1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115958647
1-(2-but-2-ynoxy-3-fluorophenyl)propan-2-amine
CID 112615813
1-[2-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958685
1-[2-[3-(dimethylamino)propoxy]-3-methylphenyl]butan-2-amine
CID 114526345

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine (CID 114526348) is 1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine is CC(N)Cc1cccc(F)c1OCCCN(C)C.
What is the InChIKey of 1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine?
The InChIKey is QEIKXKDGLPHZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-11(16)10-12-6-4-7-13(15)14(12)18-9-5-8-17(2)3/h4,6-7,11H,5,8-10,16H2,1-3H3.
What are the key properties of 1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine?
1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine has a molecular weight of 254.35 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine is sourced from PubChem (CID 114526348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).