3-(4-tert-butyl-2-methylphenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine

C16H25F2N — CID 116839672

IUPAC3-(4-tert-butyl-2-methylphenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
SMILESCc1cc(C(C)(C)C)ccc1C(F)(F)C(C)(C)CN
InChIInChI=1S/C16H25F2N/c1-11-9-12(14(2,3)4)7-8-13(11)16(17,18)15(5,6)10-19/h7-9H,10,19H2,1-6H3
InChIKeySRYQVDIZYYMEBG-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.37
Rot. Bonds3

About 3-(4-tert-butyl-2-methylphenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine

3-(4-tert-butyl-2-methylphenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine (PubChem CID 116839672) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-(4-tert-butyl-2-methylphenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butyl-2-methylphenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
PubChem CID116839672
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name3-(4-tert-butyl-2-methylphenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
SMILESCc1cc(C(C)(C)C)ccc1C(F)(F)C(C)(C)CN
InChIInChI=1S/C16H25F2N/c1-11-9-12(14(2,3)4)7-8-13(11)16(17,18)15(5,6)10-19/h7-9H,10,19H2,1-6H3
InChIKeySRYQVDIZYYMEBG-UHFFFAOYSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(4-Tert-butyl-2,6-dimethylphenyl)ethan-1-amine
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{1-[3-(Trifluoromethyl)phenyl]cyclohexyl}methanamine
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CID 66761

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2-methylphenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(4-tert-butyl-2-methylphenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine (CID 116839672) is 3-(4-tert-butyl-2-methylphenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(4-tert-butyl-2-methylphenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(4-tert-butyl-2-methylphenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine is Cc1cc(C(C)(C)C)ccc1C(F)(F)C(C)(C)CN.
What is the InChIKey of 3-(4-tert-butyl-2-methylphenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine?
The InChIKey is SRYQVDIZYYMEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-11-9-12(14(2,3)4)7-8-13(11)16(17,18)15(5,6)10-19/h7-9H,10,19H2,1-6H3.
What are the key properties of 3-(4-tert-butyl-2-methylphenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine?
3-(4-tert-butyl-2-methylphenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-2-methylphenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 116839672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).