1-[3-fluoro-4-tri(propan-2-yl)silyloxyphenyl]-N,N-dimethylbut-3-yn-2-amine

C21H34FNOSi — CID 175729413

IUPAC1-[3-fluoro-4-tri(propan-2-yl)silyloxyphenyl]-N,N-dimethylbut-3-yn-2-amine
SMILESC#CC(Cc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)c(F)c1)N(C)C
InChIInChI=1S/C21H34FNOSi/c1-10-19(23(8)9)13-18-11-12-21(20(22)14-18)24-25(15(2)3,16(4)5)17(6)7/h1,11-12,14-17,19H,13H2,2-9H3
InChIKeyHJWMONMMYIYGGP-UHFFFAOYSA-N
MW363.59 g/mol
LogP5.49
Rot. Bonds8

About 1-[3-fluoro-4-tri(propan-2-yl)silyloxyphenyl]-N,N-dimethylbut-3-yn-2-amine

1-[3-fluoro-4-tri(propan-2-yl)silyloxyphenyl]-N,N-dimethylbut-3-yn-2-amine (PubChem CID 175729413) has the molecular formula C21H34FNOSi and a molecular weight of 363.59 g/mol. Its IUPAC name is 1-[3-fluoro-4-tri(propan-2-yl)silyloxyphenyl]-N,N-dimethylbut-3-yn-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-tri(propan-2-yl)silyloxyphenyl]-N,N-dimethylbut-3-yn-2-amine
PubChem CID175729413
Molecular FormulaC21H34FNOSi
Molecular Weight363.59 g/mol
Exact Mass363.24
IUPAC Name1-[3-fluoro-4-tri(propan-2-yl)silyloxyphenyl]-N,N-dimethylbut-3-yn-2-amine
SMILESC#CC(Cc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)c(F)c1)N(C)C
InChIInChI=1S/C21H34FNOSi/c1-10-19(23(8)9)13-18-11-12-21(20(22)14-18)24-25(15(2)3,16(4)5)17(6)7/h1,11-12,14-17,19H,13H2,2-9H3
InChIKeyHJWMONMMYIYGGP-UHFFFAOYSA-N
XLogP5.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 79086997
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
2-[(4-ethoxy-3-fluorophenyl)methyl-methylamino]propanenitrile
CID 115130268
2-fluoro-1-methoxy-4-[(2R)-2-methylpentyl]benzene
CID 59468307
2-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254550
1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
CID 107693169
2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanoic acid
CID 61130269
2-[2-fluoro-4-(hydroxymethyl)phenoxy]propanenitrile
CID 107690970
4-(aminomethyl)-2-tri(propan-2-yl)silyloxyaniline
CID 59300340
2-[2-fluoro-4-(2-methylpropyl)phenyl]acetonitrile
CID 155973458
1-(difluoromethoxy)-2-fluoro-4-prop-2-ynylbenzene
CID 75406590
1-(3,4-difluorophenyl)but-3-yn-2-amine
CID 104995733

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-tri(propan-2-yl)silyloxyphenyl]-N,N-dimethylbut-3-yn-2-amine?
The IUPAC name of 1-[3-fluoro-4-tri(propan-2-yl)silyloxyphenyl]-N,N-dimethylbut-3-yn-2-amine (CID 175729413) is 1-[3-fluoro-4-tri(propan-2-yl)silyloxyphenyl]-N,N-dimethylbut-3-yn-2-amine.
What is the SMILES notation for 1-[3-fluoro-4-tri(propan-2-yl)silyloxyphenyl]-N,N-dimethylbut-3-yn-2-amine?
The canonical SMILES for 1-[3-fluoro-4-tri(propan-2-yl)silyloxyphenyl]-N,N-dimethylbut-3-yn-2-amine is C#CC(Cc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)c(F)c1)N(C)C.
What is the InChIKey of 1-[3-fluoro-4-tri(propan-2-yl)silyloxyphenyl]-N,N-dimethylbut-3-yn-2-amine?
The InChIKey is HJWMONMMYIYGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34FNOSi/c1-10-19(23(8)9)13-18-11-12-21(20(22)14-18)24-25(15(2)3,16(4)5)17(6)7/h1,11-12,14-17,19H,13H2,2-9H3.
What are the key properties of 1-[3-fluoro-4-tri(propan-2-yl)silyloxyphenyl]-N,N-dimethylbut-3-yn-2-amine?
1-[3-fluoro-4-tri(propan-2-yl)silyloxyphenyl]-N,N-dimethylbut-3-yn-2-amine has a molecular weight of 363.59 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-tri(propan-2-yl)silyloxyphenyl]-N,N-dimethylbut-3-yn-2-amine is sourced from PubChem (CID 175729413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).