1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine

C17H20FNO — CID 115996402

IUPAC1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine
SMILESCCC(N)(c1ccc(OC)cc1C)c1ccccc1F
InChIInChI=1S/C17H20FNO/c1-4-17(19,15-7-5-6-8-16(15)18)14-10-9-13(20-3)11-12(14)2/h5-11H,4,19H2,1-3H3
InChIKeyFMMGUGIGFPEZQO-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.76
Rot. Bonds4

About 1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine

1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine (PubChem CID 115996402) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine
PubChem CID115996402
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine
SMILESCCC(N)(c1ccc(OC)cc1C)c1ccccc1F
InChIInChI=1S/C17H20FNO/c1-4-17(19,15-7-5-6-8-16(15)18)14-10-9-13(20-3)11-12(14)2/h5-11H,4,19H2,1-3H3
InChIKeyFMMGUGIGFPEZQO-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine
CID 115996414
3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-amine
CID 65313598
1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine
CID 106644707
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine
CID 106761671
2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene
CID 134360467
1-fluoro-4-methoxy-2-methylbenzene;methanamine
CID 142516240
1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol
CID 103394960
1,1-difluoro-2-(2-fluorophenyl)butan-2-amine
CID 112680130
3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-ol
CID 65313856
4-methoxy-2-(4-methoxy-2-methylphenyl)butan-2-amine
CID 65313648
2-amino-2-(2-fluoro-5-methoxyphenyl)propan-1-ol
CID 55271150
1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996356

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine (CID 115996402) is 1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine is CCC(N)(c1ccc(OC)cc1C)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine?
The InChIKey is FMMGUGIGFPEZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-17(19,15-7-5-6-8-16(15)18)14-10-9-13(20-3)11-12(14)2/h5-11H,4,19H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine?
1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine is sourced from PubChem (CID 115996402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).