N-(2,2-difluoro-2-phenylethyl)-2,4,4-trimethylpentan-2-amine

C16H25F2N — CID 116788975

IUPACN-(2,2-difluoro-2-phenylethyl)-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCC(F)(F)c1ccccc1
InChIInChI=1S/C16H25F2N/c1-14(2,3)11-15(4,5)19-12-16(17,18)13-9-7-6-8-10-13/h6-10,19H,11-12H2,1-5H3
InChIKeyMHOIGRREKQRICB-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.58
Rot. Bonds5

About N-(2,2-difluoro-2-phenylethyl)-2,4,4-trimethylpentan-2-amine

N-(2,2-difluoro-2-phenylethyl)-2,4,4-trimethylpentan-2-amine (PubChem CID 116788975) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is N-(2,2-difluoro-2-phenylethyl)-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoro-2-phenylethyl)-2,4,4-trimethylpentan-2-amine
PubChem CID116788975
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-(2,2-difluoro-2-phenylethyl)-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCC(F)(F)c1ccccc1
InChIInChI=1S/C16H25F2N/c1-14(2,3)11-15(4,5)19-12-16(17,18)13-9-7-6-8-10-13/h6-10,19H,11-12H2,1-5H3
InChIKeyMHOIGRREKQRICB-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-2-phenylethyl)-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-(2,2-difluoro-2-phenylethyl)-2,4,4-trimethylpentan-2-amine (CID 116788975) is N-(2,2-difluoro-2-phenylethyl)-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-(2,2-difluoro-2-phenylethyl)-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-(2,2-difluoro-2-phenylethyl)-2,4,4-trimethylpentan-2-amine is CC(C)(C)CC(C)(C)NCC(F)(F)c1ccccc1.
What is the InChIKey of N-(2,2-difluoro-2-phenylethyl)-2,4,4-trimethylpentan-2-amine?
The InChIKey is MHOIGRREKQRICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-14(2,3)11-15(4,5)19-12-16(17,18)13-9-7-6-8-10-13/h6-10,19H,11-12H2,1-5H3.
What are the key properties of N-(2,2-difluoro-2-phenylethyl)-2,4,4-trimethylpentan-2-amine?
N-(2,2-difluoro-2-phenylethyl)-2,4,4-trimethylpentan-2-amine has a molecular weight of 269.38 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-2-phenylethyl)-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 116788975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).