N-[2-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine

C12H17F2NO — CID 115663744

IUPACN-[2-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCc1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-9(8-16-2)15-6-5-10-3-4-11(13)7-12(10)14/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyDQIOZLFQYTUTTJ-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine

N-[2-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine (PubChem CID 115663744) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine
PubChem CID115663744
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC NameN-[2-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCc1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-9(8-16-2)15-6-5-10-3-4-11(13)7-12(10)14/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyDQIOZLFQYTUTTJ-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-difluorophenyl)-1-methoxybutan-2-amine
CID 62318724
N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191889
N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 115726286
3-fluoro-4-[2-[4-(4-fluorophenyl)butan-2-ylamino]ethyl]phenol
CID 57026283
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine
CID 172506919
4-[4-(2,4-difluorophenyl)butan-2-ylamino]butanoic acid
CID 122035922
5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline
CID 94473006
1-[2-(2,4-difluorophenyl)ethyl]-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111118220
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
(2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine
CID 97074820
N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride
CID 44890739
1-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 62195914

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine (CID 115663744) is N-[2-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[2-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine is COCC(C)NCCc1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine?
The InChIKey is DQIOZLFQYTUTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-9(8-16-2)15-6-5-10-3-4-11(13)7-12(10)14/h3-4,7,9,15H,5-6,8H2,1-2H3.
What are the key properties of N-[2-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine?
N-[2-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine has a molecular weight of 229.27 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 115663744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).