5-(2,5-difluorophenyl)-N-methylpentan-2-amine

C12H17F2N — CID 64502622

IUPAC5-(2,5-difluorophenyl)-N-methylpentan-2-amine
SMILESCNC(C)CCCc1cc(F)ccc1F
InChIInChI=1S/C12H17F2N/c1-9(15-2)4-3-5-10-8-11(13)6-7-12(10)14/h6-9,15H,3-5H2,1-2H3
InChIKeyMWMQYOXAGCUPLC-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.90
Rot. Bonds5

About 5-(2,5-difluorophenyl)-N-methylpentan-2-amine

5-(2,5-difluorophenyl)-N-methylpentan-2-amine (PubChem CID 64502622) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-N-methylpentan-2-amine
PubChem CID64502622
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name5-(2,5-difluorophenyl)-N-methylpentan-2-amine
SMILESCNC(C)CCCc1cc(F)ccc1F
InChIInChI=1S/C12H17F2N/c1-9(15-2)4-3-5-10-8-11(13)6-7-12(10)14/h6-9,15H,3-5H2,1-2H3
InChIKeyMWMQYOXAGCUPLC-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-5-methylhexyl)-1,4-difluorobenzene
CID 64509441
N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 115726286
N-[(2,5-difluorophenyl)methyl]hexan-2-amine
CID 62196749
5-(2,5-difluorophenyl)pentane-2,3-diol
CID 83936139
4-(2,5-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64666043
(2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine
CID 93424532
N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 115726285
2-(2,5-difluorophenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120831286
(2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine
CID 42077676
6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine
CID 64644461
1-(2,5-difluorophenyl)-3-(methylamino)butan-2-one
CID 116564926
6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine
CID 105375532

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-N-methylpentan-2-amine?
The IUPAC name of 5-(2,5-difluorophenyl)-N-methylpentan-2-amine (CID 64502622) is 5-(2,5-difluorophenyl)-N-methylpentan-2-amine.
What is the SMILES notation for 5-(2,5-difluorophenyl)-N-methylpentan-2-amine?
The canonical SMILES for 5-(2,5-difluorophenyl)-N-methylpentan-2-amine is CNC(C)CCCc1cc(F)ccc1F.
What is the InChIKey of 5-(2,5-difluorophenyl)-N-methylpentan-2-amine?
The InChIKey is MWMQYOXAGCUPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-9(15-2)4-3-5-10-8-11(13)6-7-12(10)14/h6-9,15H,3-5H2,1-2H3.
What are the key properties of 5-(2,5-difluorophenyl)-N-methylpentan-2-amine?
5-(2,5-difluorophenyl)-N-methylpentan-2-amine has a molecular weight of 213.27 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-N-methylpentan-2-amine is sourced from PubChem (CID 64502622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).