1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine

C13H20FNO — CID 115002277

IUPAC1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine
SMILESCc1ccc(C(N)CCOC(C)C)cc1F
InChIInChI=1S/C13H20FNO/c1-9(2)16-7-6-13(15)11-5-4-10(3)12(14)8-11/h4-5,8-9,13H,6-7,15H2,1-3H3
InChIKeyYFFGNKDHWFRCKD-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.95
Rot. Bonds5

About 1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine

1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine (PubChem CID 115002277) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine
PubChem CID115002277
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine
SMILESCc1ccc(C(N)CCOC(C)C)cc1F
InChIInChI=1S/C13H20FNO/c1-9(2)16-7-6-13(15)11-5-4-10(3)12(14)8-11/h4-5,8-9,13H,6-7,15H2,1-3H3
InChIKeyYFFGNKDHWFRCKD-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine
CID 114993091
4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 107130391
(1S)-1-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 171223924
1-(3-fluoro-4-methylphenyl)hex-4-yn-1-amine
CID 104804543
(1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204371
2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107130057
2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol
CID 113426383
1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
CID 43184504
2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 65459488
ethyl 3-amino-3-(3-fluoro-4-methylphenyl)propanoate
CID 63644834
1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 107130176
(3R)-3-amino-3-(3-fluoro-4-methylphenyl)propanenitrile;hydrochloride
CID 171260420

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine (CID 115002277) is 1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine is Cc1ccc(C(N)CCOC(C)C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine?
The InChIKey is YFFGNKDHWFRCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-9(2)16-7-6-13(15)11-5-4-10(3)12(14)8-11/h4-5,8-9,13H,6-7,15H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine?
1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 115002277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).