N-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine

C15H23F2N — CID 83108347

IUPACN-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(F)(F)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H23F2N/c1-11(2)9-18-10-15(16,17)14-7-5-13(6-8-14)12(3)4/h5-8,11-12,18H,9-10H2,1-4H3
InChIKeyRRPPUVRESFRBSL-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.15
Rot. Bonds6

About N-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine

N-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine (PubChem CID 83108347) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is N-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
PubChem CID83108347
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC NameN-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(F)(F)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H23F2N/c1-11(2)9-18-10-15(16,17)14-7-5-13(6-8-14)12(3)4/h5-8,11-12,18H,9-10H2,1-4H3
InChIKeyRRPPUVRESFRBSL-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine
CID 83108104
2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 116788992
N-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine
CID 83107503
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
N-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine
CID 116789342
N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine
CID 79330140
N-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine
CID 63511266
4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-(3-propan-2-ylphenyl)ethyl]pyridine-2,6-diamine
CID 160567026
4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid
CID 65297789
2-chloro-N-(2,2-difluoro-2-phenylethyl)butan-1-amine
CID 116790612
2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine
CID 62594549
2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine
CID 62582800

Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine (CID 83108347) is N-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine is CC(C)CNCC(F)(F)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine?
The InChIKey is RRPPUVRESFRBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-11(2)9-18-10-15(16,17)14-7-5-13(6-8-14)12(3)4/h5-8,11-12,18H,9-10H2,1-4H3.
What are the key properties of N-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine?
N-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 4.15, 6 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-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 83108347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).