N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine

C14H22FNO2 — CID 62865686

IUPACN-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine
SMILESCCNC(c1cc(OC)c(OC)cc1F)C(C)C
InChIInChI=1S/C14H22FNO2/c1-6-16-14(9(2)3)10-7-12(17-4)13(18-5)8-11(10)15/h7-9,14,16H,6H2,1-5H3
InChIKeyBPYNPIXVFNDCSB-UHFFFAOYSA-N
MW255.33 g/mol
LogP3.15
Rot. Bonds6

About N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine

N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine (PubChem CID 62865686) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine
PubChem CID62865686
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC NameN-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine
SMILESCCNC(c1cc(OC)c(OC)cc1F)C(C)C
InChIInChI=1S/C14H22FNO2/c1-6-16-14(9(2)3)10-7-12(17-4)13(18-5)8-11(10)15/h7-9,14,16H,6H2,1-5H3
InChIKeyBPYNPIXVFNDCSB-UHFFFAOYSA-N
XLogP3.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43492723
N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine
CID 62865865
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine
CID 62868133
(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine
CID 171214001
2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine
CID 103163113
N-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 62965296
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 43561454
N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 97334215
1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene
CID 63447638
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616949
1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43492728

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine?
The IUPAC name of N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine (CID 62865686) is N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine is CCNC(c1cc(OC)c(OC)cc1F)C(C)C.
What is the InChIKey of N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine?
The InChIKey is BPYNPIXVFNDCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-6-16-14(9(2)3)10-7-12(17-4)13(18-5)8-11(10)15/h7-9,14,16H,6H2,1-5H3.
What are the key properties of N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine?
N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine has a molecular weight of 255.33 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 62865686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).