2-[3-(difluoromethyl)-4-methoxyphenyl]propan-2-amine

C11H15F2NO — CID 117306672

IUPAC2-[3-(difluoromethyl)-4-methoxyphenyl]propan-2-amine
SMILESCOc1ccc(C(C)(C)N)cc1C(F)F
InChIInChI=1S/C11H15F2NO/c1-11(2,14)7-4-5-9(15-3)8(6-7)10(12)13/h4-6,10H,14H2,1-3H3
InChIKeyTWZDYNDCTDJMJZ-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.83
Rot. Bonds3

About 2-[3-(difluoromethyl)-4-methoxyphenyl]propan-2-amine

2-[3-(difluoromethyl)-4-methoxyphenyl]propan-2-amine (PubChem CID 117306672) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-4-methoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-4-methoxyphenyl]propan-2-amine
PubChem CID117306672
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2-[3-(difluoromethyl)-4-methoxyphenyl]propan-2-amine
SMILESCOc1ccc(C(C)(C)N)cc1C(F)F
InChIInChI=1S/C11H15F2NO/c1-11(2,14)7-4-5-9(15-3)8(6-7)10(12)13/h4-6,10H,14H2,1-3H3
InChIKeyTWZDYNDCTDJMJZ-UHFFFAOYSA-N
XLogP2.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
CID 46311740
2-[3-(difluoromethyl)-4-methoxyphenyl]butan-2-amine
CID 165350561
amino-(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 116939444
2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine
CID 117414435
1-(5-tert-butyl-2-methoxyphenyl)ethanethiol
CID 116866684
2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 83949728
4-[2-(difluoromethyl)-4-(trifluoromethyl)phenoxy]-3-methoxybenzaldehyde
CID 87642906
2-amino-1-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propan-1-ol
CID 84705080
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274
2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
CID 3582246
1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914596
2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]propan-2-amine
CID 117411192

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-4-methoxyphenyl]propan-2-amine?
The IUPAC name of 2-[3-(difluoromethyl)-4-methoxyphenyl]propan-2-amine (CID 117306672) is 2-[3-(difluoromethyl)-4-methoxyphenyl]propan-2-amine.
What is the SMILES notation for 2-[3-(difluoromethyl)-4-methoxyphenyl]propan-2-amine?
The canonical SMILES for 2-[3-(difluoromethyl)-4-methoxyphenyl]propan-2-amine is COc1ccc(C(C)(C)N)cc1C(F)F.
What is the InChIKey of 2-[3-(difluoromethyl)-4-methoxyphenyl]propan-2-amine?
The InChIKey is TWZDYNDCTDJMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-11(2,14)7-4-5-9(15-3)8(6-7)10(12)13/h4-6,10H,14H2,1-3H3.
What are the key properties of 2-[3-(difluoromethyl)-4-methoxyphenyl]propan-2-amine?
2-[3-(difluoromethyl)-4-methoxyphenyl]propan-2-amine has a molecular weight of 215.24 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-4-methoxyphenyl]propan-2-amine is sourced from PubChem (CID 117306672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).