3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine

C11H15F2NO — CID 84681019

IUPAC3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
SMILESCOc1ccc(C(F)F)cc1CCCN
InChIInChI=1S/C11H15F2NO/c1-15-10-5-4-9(11(12)13)7-8(10)3-2-6-14/h4-5,7,11H,2-3,6,14H2,1H3
InChIKeyGIENGFXLWMJYTJ-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.52
Rot. Bonds5

About 3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine

3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine (PubChem CID 84681019) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
PubChem CID84681019
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
SMILESCOc1ccc(C(F)F)cc1CCCN
InChIInChI=1S/C11H15F2NO/c1-15-10-5-4-9(11(12)13)7-8(10)3-2-6-14/h4-5,7,11H,2-3,6,14H2,1H3
InChIKeyGIENGFXLWMJYTJ-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethyl)-1-methoxy-2-propylbenzene
CID 165125714
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
3-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]propan-1-amine
CID 117355471
1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one
CID 84680200
3-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]propan-1-amine
CID 117355470
3-(2-methoxy-5-phenylphenyl)propan-1-amine
CID 170867885
3-[5-(difluoromethyl)-2-methoxyphenyl]butan-1-amine
CID 117330475
2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681021
4-[3-(difluoromethyl)-4-methoxyphenyl]butan-1-amine
CID 117330457
4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine
CID 93185561
3-(4-methoxy-3-propylphenyl)propan-1-amine
CID 123256997

Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine?
The IUPAC name of 3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine (CID 84681019) is 3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine.
What is the SMILES notation for 3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine?
The canonical SMILES for 3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine is COc1ccc(C(F)F)cc1CCCN.
What is the InChIKey of 3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine?
The InChIKey is GIENGFXLWMJYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-15-10-5-4-9(11(12)13)7-8(10)3-2-6-14/h4-5,7,11H,2-3,6,14H2,1H3.
What are the key properties of 3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine?
3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine has a molecular weight of 215.24 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine is sourced from PubChem (CID 84681019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).