N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine

C14H20FNO2 — CID 97334215

IUPACN-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN[C@H](C)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C14H20FNO2/c1-9(2)8-16-10(3)11-6-13(17-4)14(18-5)7-12(11)15/h6-7,10,16H,1,8H2,2-5H3/t10-/m1/s1
InChIKeyUPMSYKWQKZOPPR-SNVBAGLBSA-N
MW253.32 g/mol
LogP3.07
Rot. Bonds6

About N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine

N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine (PubChem CID 97334215) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
PubChem CID97334215
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN[C@H](C)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C14H20FNO2/c1-9(2)8-16-10(3)11-6-13(17-4)14(18-5)7-12(11)15/h6-7,10,16H,1,8H2,2-5H3/t10-/m1/s1
InChIKeyUPMSYKWQKZOPPR-SNVBAGLBSA-N
XLogP3.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 97358724
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 102551497
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 62331698
2-[[(1S)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 97334210
(Z)-N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylpent-2-enamide
CID 95967414
N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine
CID 62865686
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]prop-2-en-1-amine
CID 115575005
4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide
CID 119324659
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371407
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371487
(2S)-1-[[2,2,2-trifluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]propan-2-ol
CID 136585322
N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine
CID 62865865

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine (CID 97334215) is N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine is C=C(C)CN[C@H](C)c1cc(OC)c(OC)cc1F.
What is the InChIKey of N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine?
The InChIKey is UPMSYKWQKZOPPR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9(2)8-16-10(3)11-6-13(17-4)14(18-5)7-12(11)15/h6-7,10,16H,1,8H2,2-5H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine?
N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine has a molecular weight of 253.32 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 97334215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).