3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine

C16H26FNO2 — CID 79830315

IUPAC3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOc1cc(F)c(C(C)(C)CCNC(C)C)cc1OC
InChIInChI=1S/C16H26FNO2/c1-11(2)18-8-7-16(3,4)12-9-14(19-5)15(20-6)10-13(12)17/h9-11,18H,7-8H2,1-6H3
InChIKeyREVGKZHUSXIYCM-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.51
Rot. Bonds7

About 3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine

3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 79830315) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID79830315
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOc1cc(F)c(C(C)(C)CCNC(C)C)cc1OC
InChIInChI=1S/C16H26FNO2/c1-11(2)18-8-7-16(3,4)12-9-14(19-5)15(20-6)10-13(12)17/h9-11,18H,7-8H2,1-6H3
InChIKeyREVGKZHUSXIYCM-UHFFFAOYSA-N
XLogP3.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine
CID 79830501
3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81022246
2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol
CID 82782509
3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830965
3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830945
3-(4,5-dimethoxy-2-methylphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79837037
3-(4-methoxy-1-methylindol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 107360517
3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 81022627
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine
CID 117355507
2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-ol
CID 117357817
3-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81033129
3-(5-bromo-4-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103396922

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine (CID 79830315) is 3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine is COc1cc(F)c(C(C)(C)CCNC(C)C)cc1OC.
What is the InChIKey of 3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is REVGKZHUSXIYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-11(2)18-8-7-16(3,4)12-9-14(19-5)15(20-6)10-13(12)17/h9-11,18H,7-8H2,1-6H3.
What are the key properties of 3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 283.39 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79830315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).