N-[1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethoxypropan-1-amine

C14H22FNO2 — CID 113368956

IUPACN-[1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethoxypropan-1-amine
SMILESCOCC(CNC(C)c1ccc(C)c(F)c1)OC
InChIInChI=1S/C14H22FNO2/c1-10-5-6-12(7-14(10)15)11(2)16-8-13(18-4)9-17-3/h5-7,11,13,16H,8-9H2,1-4H3
InChIKeyVWPWDCSDQYGMMH-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.45
Rot. Bonds7

About N-[1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethoxypropan-1-amine

N-[1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethoxypropan-1-amine (PubChem CID 113368956) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethoxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethoxypropan-1-amine
PubChem CID113368956
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC NameN-[1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethoxypropan-1-amine
SMILESCOCC(CNC(C)c1ccc(C)c(F)c1)OC
InChIInChI=1S/C14H22FNO2/c1-10-5-6-12(7-14(10)15)11(2)16-8-13(18-4)9-17-3/h5-7,11,13,16H,8-9H2,1-4H3
InChIKeyVWPWDCSDQYGMMH-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3-dimethoxypropan-1-amine
CID 113368479
N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104628810
1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol
CID 113261628
(2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol
CID 97051735
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol
CID 103783024
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
1-(3-fluoro-4-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102697233
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906950
2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide
CID 106235231
2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol
CID 104584185
2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine
CID 107170775

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethoxypropan-1-amine?
The IUPAC name of N-[1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethoxypropan-1-amine (CID 113368956) is N-[1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethoxypropan-1-amine.
What is the SMILES notation for N-[1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethoxypropan-1-amine?
The canonical SMILES for N-[1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethoxypropan-1-amine is COCC(CNC(C)c1ccc(C)c(F)c1)OC.
What is the InChIKey of N-[1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethoxypropan-1-amine?
The InChIKey is VWPWDCSDQYGMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-10-5-6-12(7-14(10)15)11(2)16-8-13(18-4)9-17-3/h5-7,11,13,16H,8-9H2,1-4H3.
What are the key properties of N-[1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethoxypropan-1-amine?
N-[1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethoxypropan-1-amine has a molecular weight of 255.33 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethoxypropan-1-amine is sourced from PubChem (CID 113368956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).