2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine

C12H17F2N — CID 62724715

IUPAC2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)Cc1cc(F)ccc1F
InChIInChI=1S/C12H17F2N/c1-3-12(2,8-15)7-9-6-10(13)4-5-11(9)14/h4-6H,3,7-8,15H2,1-2H3
InChIKeyWNZBIPSCQVPGIE-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.88
Rot. Bonds4

About 2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine

2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine (PubChem CID 62724715) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine
PubChem CID62724715
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)Cc1cc(F)ccc1F
InChIInChI=1S/C12H17F2N/c1-3-12(2,8-15)7-9-6-10(13)4-5-11(9)14/h4-6H,3,7-8,15H2,1-2H3
InChIKeyWNZBIPSCQVPGIE-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725310
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine
CID 62717985
2-[(2,5-difluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102640414
2-[2,2-bis(bromomethyl)butyl]-1,4-difluorobenzene
CID 79455392
2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine
CID 105408136
2-[(2,5-difluorophenyl)methyl]-2-ethylbutan-1-ol
CID 66059134
2-(3-bromo-2,2-dimethylpropyl)-1,4-difluorobenzene
CID 66047963
1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833840
2-ethyl-1,4-difluorobenzene
CID 23202513
N'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 115200256
1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine
CID 84773708

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine?
The IUPAC name of 2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine (CID 62724715) is 2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for 2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine is CCC(C)(CN)Cc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine?
The InChIKey is WNZBIPSCQVPGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-3-12(2,8-15)7-9-6-10(13)4-5-11(9)14/h4-6H,3,7-8,15H2,1-2H3.
What are the key properties of 2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine?
2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 62724715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).