4-(2,5-difluorophenyl)-N-methylpentan-2-amine

C12H17F2N — CID 64720969

IUPAC4-(2,5-difluorophenyl)-N-methylpentan-2-amine
SMILESCNC(C)CC(C)c1cc(F)ccc1F
InChIInChI=1S/C12H17F2N/c1-8(6-9(2)15-3)11-7-10(13)4-5-12(11)14/h4-5,7-9,15H,6H2,1-3H3
InChIKeyVJFMGXLMKBRMQM-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.07
Rot. Bonds4

About 4-(2,5-difluorophenyl)-N-methylpentan-2-amine

4-(2,5-difluorophenyl)-N-methylpentan-2-amine (PubChem CID 64720969) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-N-methylpentan-2-amine
PubChem CID64720969
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name4-(2,5-difluorophenyl)-N-methylpentan-2-amine
SMILESCNC(C)CC(C)c1cc(F)ccc1F
InChIInChI=1S/C12H17F2N/c1-8(6-9(2)15-3)11-7-10(13)4-5-12(11)14/h4-5,7-9,15H,6H2,1-3H3
InChIKeyVJFMGXLMKBRMQM-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromopentan-2-yl)-1,4-difluorobenzene
CID 64720370
1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
CID 43482933
1-amino-4-(2,5-difluorophenyl)pentan-2-ol
CID 83936130
2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
CID 83835356
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
2-(1-chloro-3-methylbutyl)-1,4-difluorobenzene
CID 61086362
1-(2,5-difluorophenyl)-1-hydrazinyl-N-methylmethanamine
CID 116961736
N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine
CID 43108471
1-(2-amino-4-fluorophenyl)-3-(methylamino)butan-1-ol
CID 105465988
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624
N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43674172
2-(1-chloroethyl)-1,4-difluorobenzene
CID 43114942

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-N-methylpentan-2-amine?
The IUPAC name of 4-(2,5-difluorophenyl)-N-methylpentan-2-amine (CID 64720969) is 4-(2,5-difluorophenyl)-N-methylpentan-2-amine.
What is the SMILES notation for 4-(2,5-difluorophenyl)-N-methylpentan-2-amine?
The canonical SMILES for 4-(2,5-difluorophenyl)-N-methylpentan-2-amine is CNC(C)CC(C)c1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenyl)-N-methylpentan-2-amine?
The InChIKey is VJFMGXLMKBRMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-8(6-9(2)15-3)11-7-10(13)4-5-12(11)14/h4-5,7-9,15H,6H2,1-3H3.
What are the key properties of 4-(2,5-difluorophenyl)-N-methylpentan-2-amine?
4-(2,5-difluorophenyl)-N-methylpentan-2-amine has a molecular weight of 213.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-N-methylpentan-2-amine is sourced from PubChem (CID 64720969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).