1-(4-fluoro-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine

C14H22FNO — CID 105188260

IUPAC1-(4-fluoro-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
SMILESCc1cc(F)ccc1CC(N)COC(C)(C)C
InChIInChI=1S/C14H22FNO/c1-10-7-12(15)6-5-11(10)8-13(16)9-17-14(2,3)4/h5-7,13H,8-9,16H2,1-4H3
InChIKeyLEKBDPSQZNGBHE-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.82
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine

1-(4-fluoro-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine (PubChem CID 105188260) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
PubChem CID105188260
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
SMILESCc1cc(F)ccc1CC(N)COC(C)(C)C
InChIInChI=1S/C14H22FNO/c1-10-7-12(15)6-5-11(10)8-13(16)9-17-14(2,3)4/h5-7,13H,8-9,16H2,1-4H3
InChIKeyLEKBDPSQZNGBHE-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641
1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
CID 62720947
1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine
CID 105051172
1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347640
1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 105051169
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine
CID 114348131
1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine
CID 114347745
1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 22063499
5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114349415

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine (CID 105188260) is 1-(4-fluoro-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine is Cc1cc(F)ccc1CC(N)COC(C)(C)C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The InChIKey is LEKBDPSQZNGBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-10-7-12(15)6-5-11(10)8-13(16)9-17-14(2,3)4/h5-7,13H,8-9,16H2,1-4H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
1-(4-fluoro-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine is sourced from PubChem (CID 105188260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).