1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine

C16H18FNO — CID 16792562

IUPAC1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine
SMILESCc1ccccc1OC(C)C(N)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO/c1-11-5-3-4-6-15(11)19-12(2)16(18)13-7-9-14(17)10-8-13/h3-10,12,16H,18H2,1-2H3
InChIKeyWAALDJVYLBRNEH-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.60
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine

1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine (PubChem CID 16792562) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine
PubChem CID16792562
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine
SMILESCc1ccccc1OC(C)C(N)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO/c1-11-5-3-4-6-15(11)19-12(2)16(18)13-7-9-14(17)10-8-13/h3-10,12,16H,18H2,1-2H3
InChIKeyWAALDJVYLBRNEH-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-phenoxypropan-1-amine
CID 16782575
2-(2,3-difluorophenoxy)-1-(4-methoxyphenyl)propan-1-amine
CID 63036757
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
(2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine
CID 102981073
2-(2-fluoro-3-methylphenoxy)-3-methyl-1-phenylbutan-1-amine
CID 107657103
1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine
CID 107523583
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
4-(2-methylphenoxy)pentan-2-amine
CID 64707496
1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 53420253
1-(1-iodoethoxy)-2-methylbenzene
CID 135136268
2-(5-fluoro-2-methylphenoxy)-1-phenylpropan-1-ol
CID 102983363

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine (CID 16792562) is 1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine is Cc1ccccc1OC(C)C(N)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine?
The InChIKey is WAALDJVYLBRNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-5-3-4-6-15(11)19-12(2)16(18)13-7-9-14(17)10-8-13/h3-10,12,16H,18H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine?
1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine has a molecular weight of 259.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine is sourced from PubChem (CID 16792562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).