(1S,3S,4S)-3-fluoro-4-[4-[hydroxy(dimethyl)silyl]-4-methyl-2-phenylpentoxy]cyclohexan-1-amine

C20H34FNO2Si — CID 70336713

IUPAC(1S,3S,4S)-3-fluoro-4-[4-[hydroxy(dimethyl)silyl]-4-methyl-2-phenylpentoxy]cyclohexan-1-amine
SMILESCC(C)(CC(CO[C@H]1CC[C@H](N)C[C@@H]1F)c1ccccc1)[Si](C)(C)O
InChIInChI=1S/C20H34FNO2Si/c1-20(2,25(3,4)23)13-16(15-8-6-5-7-9-15)14-24-19-11-10-17(22)12-18(19)21/h5-9,16-19,23H,10-14,22H2,1-4H3/t16?,17-,18-,19-/m0/s1
InChIKeyAKBYOFJNTSMLFU-JGINJTNGSA-N
MW367.58 g/mol
LogP4.37
Rot. Bonds7

About (1S,3S,4S)-3-fluoro-4-[4-[hydroxy(dimethyl)silyl]-4-methyl-2-phenylpentoxy]cyclohexan-1-amine

(1S,3S,4S)-3-fluoro-4-[4-[hydroxy(dimethyl)silyl]-4-methyl-2-phenylpentoxy]cyclohexan-1-amine (PubChem CID 70336713) has the molecular formula C20H34FNO2Si and a molecular weight of 367.58 g/mol. Its IUPAC name is (1S,3S,4S)-3-fluoro-4-[4-[hydroxy(dimethyl)silyl]-4-methyl-2-phenylpentoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name(1S,3S,4S)-3-fluoro-4-[4-[hydroxy(dimethyl)silyl]-4-methyl-2-phenylpentoxy]cyclohexan-1-amine
PubChem CID70336713
Molecular FormulaC20H34FNO2Si
Molecular Weight367.58 g/mol
Exact Mass367.23
IUPAC Name(1S,3S,4S)-3-fluoro-4-[4-[hydroxy(dimethyl)silyl]-4-methyl-2-phenylpentoxy]cyclohexan-1-amine
SMILESCC(C)(CC(CO[C@H]1CC[C@H](N)C[C@@H]1F)c1ccccc1)[Si](C)(C)O
InChIInChI=1S/C20H34FNO2Si/c1-20(2,25(3,4)23)13-16(15-8-6-5-7-9-15)14-24-19-11-10-17(22)12-18(19)21/h5-9,16-19,23H,10-14,22H2,1-4H3/t16?,17-,18-,19-/m0/s1
InChIKeyAKBYOFJNTSMLFU-JGINJTNGSA-N
XLogP4.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.58
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-3-fluoro-4-[4-[hydroxy(dimethyl)silyl]-4-methyl-2-phenylpentoxy]cyclohexan-1-amine?
The IUPAC name of (1S,3S,4S)-3-fluoro-4-[4-[hydroxy(dimethyl)silyl]-4-methyl-2-phenylpentoxy]cyclohexan-1-amine (CID 70336713) is (1S,3S,4S)-3-fluoro-4-[4-[hydroxy(dimethyl)silyl]-4-methyl-2-phenylpentoxy]cyclohexan-1-amine.
What is the SMILES notation for (1S,3S,4S)-3-fluoro-4-[4-[hydroxy(dimethyl)silyl]-4-methyl-2-phenylpentoxy]cyclohexan-1-amine?
The canonical SMILES for (1S,3S,4S)-3-fluoro-4-[4-[hydroxy(dimethyl)silyl]-4-methyl-2-phenylpentoxy]cyclohexan-1-amine is CC(C)(CC(CO[C@H]1CC[C@H](N)C[C@@H]1F)c1ccccc1)[Si](C)(C)O.
What is the InChIKey of (1S,3S,4S)-3-fluoro-4-[4-[hydroxy(dimethyl)silyl]-4-methyl-2-phenylpentoxy]cyclohexan-1-amine?
The InChIKey is AKBYOFJNTSMLFU-JGINJTNGSA-N. The full InChI is InChI=1S/C20H34FNO2Si/c1-20(2,25(3,4)23)13-16(15-8-6-5-7-9-15)14-24-19-11-10-17(22)12-18(19)21/h5-9,16-19,23H,10-14,22H2,1-4H3/t16?,17-,18-,19-/m0/s1.
What are the key properties of (1S,3S,4S)-3-fluoro-4-[4-[hydroxy(dimethyl)silyl]-4-methyl-2-phenylpentoxy]cyclohexan-1-amine?
(1S,3S,4S)-3-fluoro-4-[4-[hydroxy(dimethyl)silyl]-4-methyl-2-phenylpentoxy]cyclohexan-1-amine has a molecular weight of 367.58 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-3-fluoro-4-[4-[hydroxy(dimethyl)silyl]-4-methyl-2-phenylpentoxy]cyclohexan-1-amine is sourced from PubChem (CID 70336713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).