1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine

C12H17F2N — CID 116839228

IUPAC1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine
SMILESCC(C)c1ccc(C(F)(F)C(C)N)cc1
InChIInChI=1S/C12H17F2N/c1-8(2)10-4-6-11(7-5-10)12(13,14)9(3)15/h4-9H,15H2,1-3H3
InChIKeyLMJUDRVVZPZGQU-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.25
Rot. Bonds3

About 1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine

1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine (PubChem CID 116839228) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine
PubChem CID116839228
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine
SMILESCC(C)c1ccc(C(F)(F)C(C)N)cc1
InChIInChI=1S/C12H17F2N/c1-8(2)10-4-6-11(7-5-10)12(13,14)9(3)15/h4-9H,15H2,1-3H3
InChIKeyLMJUDRVVZPZGQU-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoro-1-(4-propan-2-ylsulfanylphenyl)propan-2-amine
CID 116839309
2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride
CID 122163896
1-(1,1-difluoro-2-methylpropyl)-4-(1-fluoroethyl)benzene
CID 71203185
1-[bromo-(4-tert-butylphenyl)methyl]-4-propan-2-ylbenzene
CID 63439847
3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol
CID 62800591
1,1-difluoro-1-(3-fluorophenyl)propan-2-amine
CID 83855474
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935
(1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine
CID 124704459
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587
(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 164523189
1-(3-bromophenyl)-1,1-difluoropropan-2-amine
CID 91926944
2-(4-propan-2-ylphenyl)butan-2-amine
CID 62800595

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine?
The IUPAC name of 1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine (CID 116839228) is 1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine is CC(C)c1ccc(C(F)(F)C(C)N)cc1.
What is the InChIKey of 1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine?
The InChIKey is LMJUDRVVZPZGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-8(2)10-4-6-11(7-5-10)12(13,14)9(3)15/h4-9H,15H2,1-3H3.
What are the key properties of 1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine?
1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine has a molecular weight of 213.27 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine is sourced from PubChem (CID 116839228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).