1-[4-(difluoromethylsulfonyl)phenyl]-N-methylpentan-2-amine

C13H19F2NO2S — CID 63199641

IUPAC1-[4-(difluoromethylsulfonyl)phenyl]-N-methylpentan-2-amine
SMILESCCCC(Cc1ccc(S(=O)(=O)C(F)F)cc1)NC
InChIInChI=1S/C13H19F2NO2S/c1-3-4-11(16-2)9-10-5-7-12(8-6-10)19(17,18)13(14)15/h5-8,11,13,16H,3-4,9H2,1-2H3
InChIKeyMOLQIEDNKQUPDP-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.61
Rot. Bonds7

About 1-[4-(difluoromethylsulfonyl)phenyl]-N-methylpentan-2-amine

1-[4-(difluoromethylsulfonyl)phenyl]-N-methylpentan-2-amine (PubChem CID 63199641) has the molecular formula C13H19F2NO2S and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfonyl)phenyl]-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfonyl)phenyl]-N-methylpentan-2-amine
PubChem CID63199641
Molecular FormulaC13H19F2NO2S
Molecular Weight291.36 g/mol
Exact Mass291.11
IUPAC Name1-[4-(difluoromethylsulfonyl)phenyl]-N-methylpentan-2-amine
SMILESCCCC(Cc1ccc(S(=O)(=O)C(F)F)cc1)NC
InChIInChI=1S/C13H19F2NO2S/c1-3-4-11(16-2)9-10-5-7-12(8-6-10)19(17,18)13(14)15/h5-8,11,13,16H,3-4,9H2,1-2H3
InChIKeyMOLQIEDNKQUPDP-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethylsulfonyl)-N-heptan-4-ylaniline
CID 43683888
1-[4-(difluoromethylsulfonyl)phenyl]-N,3,3-trimethylbutan-2-amine
CID 63198472
1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837
N-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine
CID 63198265
CID 162598602
CID 162598602
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181
N-butyl-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]butan-1-amine
CID 112814799
1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine
CID 103039854
5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine
CID 65095558
N-methyl-4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 115848283
1-(4-iodophenyl)-N-methylhexan-2-amine
CID 79405235
N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 55040773

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]-N-methylpentan-2-amine?
The IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]-N-methylpentan-2-amine (CID 63199641) is 1-[4-(difluoromethylsulfonyl)phenyl]-N-methylpentan-2-amine.
What is the SMILES notation for 1-[4-(difluoromethylsulfonyl)phenyl]-N-methylpentan-2-amine?
The canonical SMILES for 1-[4-(difluoromethylsulfonyl)phenyl]-N-methylpentan-2-amine is CCCC(Cc1ccc(S(=O)(=O)C(F)F)cc1)NC.
What is the InChIKey of 1-[4-(difluoromethylsulfonyl)phenyl]-N-methylpentan-2-amine?
The InChIKey is MOLQIEDNKQUPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2S/c1-3-4-11(16-2)9-10-5-7-12(8-6-10)19(17,18)13(14)15/h5-8,11,13,16H,3-4,9H2,1-2H3.
What are the key properties of 1-[4-(difluoromethylsulfonyl)phenyl]-N-methylpentan-2-amine?
1-[4-(difluoromethylsulfonyl)phenyl]-N-methylpentan-2-amine has a molecular weight of 291.36 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfonyl)phenyl]-N-methylpentan-2-amine is sourced from PubChem (CID 63199641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).