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

C11H15F2NO — CID 84681021

IUPAC2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
SMILESCOc1ccc(C(F)F)cc1C(C)CN
InChIInChI=1S/C11H15F2NO/c1-7(6-14)9-5-8(11(12)13)3-4-10(9)15-2/h3-5,7,11H,6,14H2,1-2H3
InChIKeyZBSNIYUNZJIAMK-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.69
Rot. Bonds4

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

2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine (PubChem CID 84681021) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
PubChem CID84681021
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
SMILESCOc1ccc(C(F)F)cc1C(C)CN
InChIInChI=1S/C11H15F2NO/c1-7(6-14)9-5-8(11(12)13)3-4-10(9)15-2/h3-5,7,11H,6,14H2,1-2H3
InChIKeyZBSNIYUNZJIAMK-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(difluoromethyl)-2-methoxyphenyl]butan-1-amine
CID 117330475
3-(1-aminopropan-2-yl)-4-methoxyaniline
CID 84657534
2-[5-(difluoromethyl)-2-methylphenyl]propan-1-amine
CID 117288683
2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine
CID 83884513
2-amino-1-(2-methoxy-5-propan-2-ylphenyl)ethanethiol
CID 116868593
2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine
CID 117313656
3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 131000809
1-(5-butan-2-yl-2-methoxyphenyl)ethanamine
CID 4319802
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine
CID 117331001
3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681019
2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine
CID 117445044

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine?
The IUPAC name of 2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine (CID 84681021) is 2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine.
What is the SMILES notation for 2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine?
The canonical SMILES for 2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine is COc1ccc(C(F)F)cc1C(C)CN.
What is the InChIKey of 2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine?
The InChIKey is ZBSNIYUNZJIAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7(6-14)9-5-8(11(12)13)3-4-10(9)15-2/h3-5,7,11H,6,14H2,1-2H3.
What are the key properties of 2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine?
2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine has a molecular weight of 215.24 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine is sourced from PubChem (CID 84681021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).