1-(3,5-difluorophenyl)-3,4,4-trimethylpentan-1-amine

C14H21F2N — CID 115851616

IUPAC1-(3,5-difluorophenyl)-3,4,4-trimethylpentan-1-amine
SMILESCC(CC(N)c1cc(F)cc(F)c1)C(C)(C)C
InChIInChI=1S/C14H21F2N/c1-9(14(2,3)4)5-13(17)10-6-11(15)8-12(16)7-10/h6-9,13H,5,17H2,1-4H3
InChIKeyXUMIOEDMZGBTQT-UHFFFAOYSA-N
MW241.32 g/mol
LogP4.04
Rot. Bonds3

About 1-(3,5-difluorophenyl)-3,4,4-trimethylpentan-1-amine

1-(3,5-difluorophenyl)-3,4,4-trimethylpentan-1-amine (PubChem CID 115851616) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3,4,4-trimethylpentan-1-amine
PubChem CID115851616
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name1-(3,5-difluorophenyl)-3,4,4-trimethylpentan-1-amine
SMILESCC(CC(N)c1cc(F)cc(F)c1)C(C)(C)C
InChIInChI=1S/C14H21F2N/c1-9(14(2,3)4)5-13(17)10-6-11(15)8-12(16)7-10/h6-9,13H,5,17H2,1-4H3
InChIKeyXUMIOEDMZGBTQT-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine
CID 82922751
1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 63833414
3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115852178
1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 105018666
3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115854063
(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
CID 55278901
(1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine
CID 55272435
(1S)-1-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171224083
1-(2,3-difluorophenyl)-3,4,4-trimethylpentan-1-amine
CID 115861931
1-(3,5-difluorophenyl)hexan-1-amine
CID 62605213
1-(2,2-dimethylpentan-3-yl)-3,5-difluorobenzene
CID 58063354
(1R)-1-(3,5-difluorophenyl)-3-methylbut-3-en-1-amine
CID 131002323

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3,4,4-trimethylpentan-1-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-3,4,4-trimethylpentan-1-amine (CID 115851616) is 1-(3,5-difluorophenyl)-3,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3,4,4-trimethylpentan-1-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-3,4,4-trimethylpentan-1-amine is CC(CC(N)c1cc(F)cc(F)c1)C(C)(C)C.
What is the InChIKey of 1-(3,5-difluorophenyl)-3,4,4-trimethylpentan-1-amine?
The InChIKey is XUMIOEDMZGBTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-9(14(2,3)4)5-13(17)10-6-11(15)8-12(16)7-10/h6-9,13H,5,17H2,1-4H3.
What are the key properties of 1-(3,5-difluorophenyl)-3,4,4-trimethylpentan-1-amine?
1-(3,5-difluorophenyl)-3,4,4-trimethylpentan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 115851616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).