3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine

C12H17F2NO — CID 84792717

IUPAC3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine
SMILESCC(F)(F)COc1ccc(CCCN)cc1
InChIInChI=1S/C12H17F2NO/c1-12(13,14)9-16-11-6-4-10(5-7-11)3-2-8-15/h4-7H,2-3,8-9,15H2,1H3
InChIKeyBMKLBLBNZZSBHD-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.61
Rot. Bonds6

About 3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine

3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine (PubChem CID 84792717) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine
PubChem CID84792717
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine
SMILESCC(F)(F)COc1ccc(CCCN)cc1
InChIInChI=1S/C12H17F2NO/c1-12(13,14)9-16-11-6-4-10(5-7-11)3-2-8-15/h4-7H,2-3,8-9,15H2,1H3
InChIKeyBMKLBLBNZZSBHD-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2,2-difluoropropoxy)phenyl]propanenitrile
CID 84789993
3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 43445791
3-[4-(3-fluoropropoxy)phenyl]propan-1-amine
CID 53434413
3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine
CID 84783908
2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine
CID 84792720
4-[4-(2,2-difluoropropyl)phenyl]butan-1-amine
CID 117327291
[4-(2-fluoro-2-methylpropoxy)phenyl]methanamine
CID 84667770
3-(4-hexadecoxyphenyl)propan-1-amine
CID 170867453
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
2,2-difluoropropoxybenzene
CID 10997493
2-[4-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693365
1-(5,5-dimethylhexyl)-4-(2,2-dimethylpropoxy)benzene
CID 167387215

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine?
The IUPAC name of 3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine (CID 84792717) is 3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine is CC(F)(F)COc1ccc(CCCN)cc1.
What is the InChIKey of 3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine?
The InChIKey is BMKLBLBNZZSBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-12(13,14)9-16-11-6-4-10(5-7-11)3-2-8-15/h4-7H,2-3,8-9,15H2,1H3.
What are the key properties of 3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine?
3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine has a molecular weight of 229.27 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine is sourced from PubChem (CID 84792717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).