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

C12H17F2N — CID 83886053

IUPAC1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(C(CF)CF)cc1
InChIInChI=1S/C12H17F2N/c1-9(15)6-10-2-4-11(5-3-10)12(7-13)8-14/h2-5,9,12H,6-8,15H2,1H3
InChIKeyPIFBVUFXTCVOOG-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.60
Rot. Bonds5

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

1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-amine (PubChem CID 83886053) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-amine
PubChem CID83886053
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(C(CF)CF)cc1
InChIInChI=1S/C12H17F2N/c1-9(15)6-10-2-4-11(5-3-10)12(7-13)8-14/h2-5,9,12H,6-8,15H2,1H3
InChIKeyPIFBVUFXTCVOOG-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(dichloromethyl)phenyl]propan-2-amine
CID 67566603
[4-(2-aminopropyl)phenyl]methanediol
CID 77321990
1-(4-chlorophenyl)propan-2-amine
CID 3127
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
azane;1-phenylpropan-2-amine
CID 67350534
1-(4-trimethylsilylphenyl)propan-2-amine
CID 130016681
1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine
CID 107668862
potassium;1-phenylpropan-2-amine;iodide
CID 70390373
1-(4-cyclopropylphenyl)propan-2-amine
CID 79983899

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-amine (CID 83886053) is 1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-amine is CC(N)Cc1ccc(C(CF)CF)cc1.
What is the InChIKey of 1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-amine?
The InChIKey is PIFBVUFXTCVOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-9(15)6-10-2-4-11(5-3-10)12(7-13)8-14/h2-5,9,12H,6-8,15H2,1H3.
What are the key properties of 1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-amine?
1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-amine has a molecular weight of 213.27 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-amine is sourced from PubChem (CID 83886053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).