N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine

C15H23F2NO — CID 43787074

IUPACN-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine
SMILESCCC(NC(C)c1ccccc1OC(F)F)C(C)C
InChIInChI=1S/C15H23F2NO/c1-5-13(10(2)3)18-11(4)12-8-6-7-9-14(12)19-15(16)17/h6-11,13,15,18H,5H2,1-4H3
InChIKeyOTZPPVPMOSJBST-UHFFFAOYSA-N
MW271.35 g/mol
LogP4.37
Rot. Bonds7

About N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine (PubChem CID 43787074) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine
PubChem CID43787074
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine
SMILESCCC(NC(C)c1ccccc1OC(F)F)C(C)C
InChIInChI=1S/C15H23F2NO/c1-5-13(10(2)3)18-11(4)12-8-6-7-9-14(12)19-15(16)17/h6-11,13,15,18H,5H2,1-4H3
InChIKeyOTZPPVPMOSJBST-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476075
N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43766762
2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
CID 43207134
N-[1-[2-(difluoromethoxy)phenyl]ethyl]pent-1-yn-3-amine
CID 106225024
2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 115352797
methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate
CID 115352796
N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine
CID 60928177
2-(difluoromethoxy)-N-(2-methylpentan-3-yl)aniline
CID 43766728
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 81378481
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
(1S)-1-[2-(difluoromethoxy)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171230995
1-[1-[2-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499370

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine (CID 43787074) is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine is CCC(NC(C)c1ccccc1OC(F)F)C(C)C.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine?
The InChIKey is OTZPPVPMOSJBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-5-13(10(2)3)18-11(4)12-8-6-7-9-14(12)19-15(16)17/h6-11,13,15,18H,5H2,1-4H3.
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine?
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine has a molecular weight of 271.35 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine is sourced from PubChem (CID 43787074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).