(1S)-1-cyclopropyl-1-(3-fluorophenyl)-4-methyl-2-trimethylsilyloxypentan-3-amine

C18H30FNOSi — CID 140530647

IUPAC(1S)-1-cyclopropyl-1-(3-fluorophenyl)-4-methyl-2-trimethylsilyloxypentan-3-amine
SMILESCC(C)C(N)C(O[Si](C)(C)C)[C@H](c1cccc(F)c1)C1CC1
InChIInChI=1S/C18H30FNOSi/c1-12(2)17(20)18(21-22(3,4)5)16(13-9-10-13)14-7-6-8-15(19)11-14/h6-8,11-13,16-18H,9-10,20H2,1-5H3/t16-,17?,18?/m0/s1
InChIKeyWKSRRGYVWYKMKD-AOCRQIFASA-N
MW323.53 g/mol
LogP4.52
Rot. Bonds7

About (1S)-1-cyclopropyl-1-(3-fluorophenyl)-4-methyl-2-trimethylsilyloxypentan-3-amine

(1S)-1-cyclopropyl-1-(3-fluorophenyl)-4-methyl-2-trimethylsilyloxypentan-3-amine (PubChem CID 140530647) has the molecular formula C18H30FNOSi and a molecular weight of 323.53 g/mol. Its IUPAC name is (1S)-1-cyclopropyl-1-(3-fluorophenyl)-4-methyl-2-trimethylsilyloxypentan-3-amine.

Molecular Properties

Compound Name(1S)-1-cyclopropyl-1-(3-fluorophenyl)-4-methyl-2-trimethylsilyloxypentan-3-amine
PubChem CID140530647
Molecular FormulaC18H30FNOSi
Molecular Weight323.53 g/mol
Exact Mass323.21
IUPAC Name(1S)-1-cyclopropyl-1-(3-fluorophenyl)-4-methyl-2-trimethylsilyloxypentan-3-amine
SMILESCC(C)C(N)C(O[Si](C)(C)C)[C@H](c1cccc(F)c1)C1CC1
InChIInChI=1S/C18H30FNOSi/c1-12(2)17(20)18(21-22(3,4)5)16(13-9-10-13)14-7-6-8-15(19)11-14/h6-8,11-13,16-18H,9-10,20H2,1-5H3/t16-,17?,18?/m0/s1
InChIKeyWKSRRGYVWYKMKD-AOCRQIFASA-N
XLogP4.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine
CID 102251714
Norpseudoephedrine O-TBDMS
CID 14345504
rel-(1S,2R)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-phenylpropan-2-amine
CID 14345505
4-[Tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)butan-1-amine
CID 18354478
(2R,5R)-5-benzyl-6-[dimethyl(2-methylpentan-2-yl)silyl]oxy-3-fluoro-1-phenylhex-3-en-2-amine
CID 56975180
3-[Tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)propan-1-amine
CID 58548906
3-[Tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propan-1-amine
CID 58548913
2-[Tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethanamine
CID 59527969
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-(4-fluorophenyl)ethoxy]propan-2-amine
CID 66705907
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-(4-fluorophenyl)ethoxy]propan-2-amine
CID 66705983
2-[Tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)ethanamine
CID 67428073
(1S,3S,4S)-3-fluoro-4-[4-[hydroxy(dimethyl)silyl]-4-methyl-2-phenylpentoxy]cyclohexan-1-amine
CID 70336713

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopropyl-1-(3-fluorophenyl)-4-methyl-2-trimethylsilyloxypentan-3-amine?
The IUPAC name of (1S)-1-cyclopropyl-1-(3-fluorophenyl)-4-methyl-2-trimethylsilyloxypentan-3-amine (CID 140530647) is (1S)-1-cyclopropyl-1-(3-fluorophenyl)-4-methyl-2-trimethylsilyloxypentan-3-amine.
What is the SMILES notation for (1S)-1-cyclopropyl-1-(3-fluorophenyl)-4-methyl-2-trimethylsilyloxypentan-3-amine?
The canonical SMILES for (1S)-1-cyclopropyl-1-(3-fluorophenyl)-4-methyl-2-trimethylsilyloxypentan-3-amine is CC(C)C(N)C(O[Si](C)(C)C)[C@H](c1cccc(F)c1)C1CC1.
What is the InChIKey of (1S)-1-cyclopropyl-1-(3-fluorophenyl)-4-methyl-2-trimethylsilyloxypentan-3-amine?
The InChIKey is WKSRRGYVWYKMKD-AOCRQIFASA-N. The full InChI is InChI=1S/C18H30FNOSi/c1-12(2)17(20)18(21-22(3,4)5)16(13-9-10-13)14-7-6-8-15(19)11-14/h6-8,11-13,16-18H,9-10,20H2,1-5H3/t16-,17?,18?/m0/s1.
What are the key properties of (1S)-1-cyclopropyl-1-(3-fluorophenyl)-4-methyl-2-trimethylsilyloxypentan-3-amine?
(1S)-1-cyclopropyl-1-(3-fluorophenyl)-4-methyl-2-trimethylsilyloxypentan-3-amine has a molecular weight of 323.53 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopropyl-1-(3-fluorophenyl)-4-methyl-2-trimethylsilyloxypentan-3-amine is sourced from PubChem (CID 140530647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).