1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine

C13H19F2NO — CID 103029524

IUPAC1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1cc(F)cc(F)c1
InChIInChI=1S/C13H19F2NO/c1-13(2,17-3)8-12(16)6-9-4-10(14)7-11(15)5-9/h4-5,7,12H,6,8,16H2,1-3H3
InChIKeyXNLIVXBSCJXMGU-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.65
Rot. Bonds5

About 1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine

1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine (PubChem CID 103029524) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine
PubChem CID103029524
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1cc(F)cc(F)c1
InChIInChI=1S/C13H19F2NO/c1-13(2,17-3)8-12(16)6-9-4-10(14)7-11(15)5-9/h4-5,7,12H,6,8,16H2,1-3H3
InChIKeyXNLIVXBSCJXMGU-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024928
1-(3,5-difluorophenyl)-4-methoxybutan-2-amine
CID 115601754
1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine
CID 103025092
1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 79708487
1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
CID 105405745
(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol
CID 162341885
1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103028593
1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216527
[1-(3,5-difluorophenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025282
(2S)-4-chloro-1-(3,5-difluorophenyl)butan-2-amine
CID 89258105
4-(3,5-difluorophenyl)-3-methylbutan-2-amine
CID 105404517
1-amino-3-(3,5-difluorophenyl)propan-2-ol
CID 83442505

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine (CID 103029524) is 1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(N)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine?
The InChIKey is XNLIVXBSCJXMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-13(2,17-3)8-12(16)6-9-4-10(14)7-11(15)5-9/h4-5,7,12H,6,8,16H2,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine?
1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine has a molecular weight of 243.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 103029524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).