N-[2-(3,5-dimethoxyphenyl)-2-fluoroethyl]-2-methylpropan-2-amine

C14H22FNO2 — CID 107446635

IUPACN-[2-(3,5-dimethoxyphenyl)-2-fluoroethyl]-2-methylpropan-2-amine
SMILESCOc1cc(OC)cc(C(F)CNC(C)(C)C)c1
InChIInChI=1S/C14H22FNO2/c1-14(2,3)16-9-13(15)10-6-11(17-4)8-12(7-10)18-5/h6-8,13,16H,9H2,1-5H3
InChIKeyTXQPSKYVJUCYTG-UHFFFAOYSA-N
MW255.33 g/mol
LogP3.10
Rot. Bonds5

About N-[2-(3,5-dimethoxyphenyl)-2-fluoroethyl]-2-methylpropan-2-amine

N-[2-(3,5-dimethoxyphenyl)-2-fluoroethyl]-2-methylpropan-2-amine (PubChem CID 107446635) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenyl)-2-fluoroethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenyl)-2-fluoroethyl]-2-methylpropan-2-amine
PubChem CID107446635
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC NameN-[2-(3,5-dimethoxyphenyl)-2-fluoroethyl]-2-methylpropan-2-amine
SMILESCOc1cc(OC)cc(C(F)CNC(C)(C)C)c1
InChIInChI=1S/C14H22FNO2/c1-14(2,3)16-9-13(15)10-6-11(17-4)8-12(7-10)18-5/h6-8,13,16H,9H2,1-5H3
InChIKeyTXQPSKYVJUCYTG-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 62107638
N-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine
CID 107446790
N-[2-fluoro-3-(3-methoxyphenyl)propyl]-2-methylpropan-2-amine
CID 107446727
N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine
CID 62110255
3-[3-(tert-butylamino)-2-hydroxypropoxy]-5-methoxybenzonitrile
CID 103566629
1-(3,5-dimethoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312157
1-(3,5-dimethoxyphenyl)-3,3-dimethylbutane-1,2-diol
CID 103457152
[1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine
CID 105265210
(1R,3S)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol
CID 171236808
(1R,3R)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol
CID 171237724
N-[2-(2-chloro-5-fluorophenyl)-2-fluoroethyl]-2-methylpropan-2-amine
CID 107446807
N'-tert-butyl-N-[(3,5-dimethoxyphenyl)methyl]propane-1,3-diamine
CID 115572730

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenyl)-2-fluoroethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3,5-dimethoxyphenyl)-2-fluoroethyl]-2-methylpropan-2-amine (CID 107446635) is N-[2-(3,5-dimethoxyphenyl)-2-fluoroethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenyl)-2-fluoroethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3,5-dimethoxyphenyl)-2-fluoroethyl]-2-methylpropan-2-amine is COc1cc(OC)cc(C(F)CNC(C)(C)C)c1.
What is the InChIKey of N-[2-(3,5-dimethoxyphenyl)-2-fluoroethyl]-2-methylpropan-2-amine?
The InChIKey is TXQPSKYVJUCYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-14(2,3)16-9-13(15)10-6-11(17-4)8-12(7-10)18-5/h6-8,13,16H,9H2,1-5H3.
What are the key properties of N-[2-(3,5-dimethoxyphenyl)-2-fluoroethyl]-2-methylpropan-2-amine?
N-[2-(3,5-dimethoxyphenyl)-2-fluoroethyl]-2-methylpropan-2-amine has a molecular weight of 255.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenyl)-2-fluoroethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).