3,3-difluoro-2-[(4-methoxyphenyl)methyl]propan-1-amine

C11H15F2NO — CID 84723743

IUPAC3,3-difluoro-2-[(4-methoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccc(CC(CN)C(F)F)cc1
InChIInChI=1S/C11H15F2NO/c1-15-10-4-2-8(3-5-10)6-9(7-14)11(12)13/h2-5,9,11H,6-7,14H2,1H3
InChIKeyLSPIMEVWRDOSIX-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.08
Rot. Bonds5

About 3,3-difluoro-2-[(4-methoxyphenyl)methyl]propan-1-amine

3,3-difluoro-2-[(4-methoxyphenyl)methyl]propan-1-amine (PubChem CID 84723743) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 3,3-difluoro-2-[(4-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-2-[(4-methoxyphenyl)methyl]propan-1-amine
PubChem CID84723743
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name3,3-difluoro-2-[(4-methoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccc(CC(CN)C(F)F)cc1
InChIInChI=1S/C11H15F2NO/c1-15-10-4-2-8(3-5-10)6-9(7-14)11(12)13/h2-5,9,11H,6-7,14H2,1H3
InChIKeyLSPIMEVWRDOSIX-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-(4-methoxyphenyl)propan-1-amine
CID 84718779
1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride
CID 67019748
1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62394123
1-amino-2-[(4-methoxyphenyl)methyl]butan-1-ol
CID 70266735
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
1-(4-methoxyphenyl)-3-propylhexan-2-amine
CID 82987770
1-(4-methoxyphenyl)propane-2-thiol
CID 63272833
1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
(2S)-2-amino-3-(4-methoxyphenyl)propane-1,1-diol
CID 130242528

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-[(4-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 3,3-difluoro-2-[(4-methoxyphenyl)methyl]propan-1-amine (CID 84723743) is 3,3-difluoro-2-[(4-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3,3-difluoro-2-[(4-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 3,3-difluoro-2-[(4-methoxyphenyl)methyl]propan-1-amine is COc1ccc(CC(CN)C(F)F)cc1.
What is the InChIKey of 3,3-difluoro-2-[(4-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is LSPIMEVWRDOSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-15-10-4-2-8(3-5-10)6-9(7-14)11(12)13/h2-5,9,11H,6-7,14H2,1H3.
What are the key properties of 3,3-difluoro-2-[(4-methoxyphenyl)methyl]propan-1-amine?
3,3-difluoro-2-[(4-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 215.24 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-[(4-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 84723743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).