3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-methoxyphenol

C16H27NO2 — CID 154938657

IUPAC3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-methoxyphenol
SMILESCCCC(CCN(C)C)Cc1cc(O)cc(OC)c1
InChIInChI=1S/C16H27NO2/c1-5-6-13(7-8-17(2)3)9-14-10-15(18)12-16(11-14)19-4/h10-13,18H,5-9H2,1-4H3
InChIKeyLFARMRQNSZPNGG-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.31
Rot. Bonds8

About 3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-methoxyphenol

3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-methoxyphenol (PubChem CID 154938657) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-methoxyphenol.

Molecular Properties

Compound Name3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-methoxyphenol
PubChem CID154938657
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-methoxyphenol
SMILESCCCC(CCN(C)C)Cc1cc(O)cc(OC)c1
InChIInChI=1S/C16H27NO2/c1-5-6-13(7-8-17(2)3)9-14-10-15(18)12-16(11-14)19-4/h10-13,18H,5-9H2,1-4H3
InChIKeyLFARMRQNSZPNGG-UHFFFAOYSA-N
XLogP3.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-methoxyphenol?
The IUPAC name of 3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-methoxyphenol (CID 154938657) is 3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-methoxyphenol.
What is the SMILES notation for 3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-methoxyphenol?
The canonical SMILES for 3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-methoxyphenol is CCCC(CCN(C)C)Cc1cc(O)cc(OC)c1.
What is the InChIKey of 3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-methoxyphenol?
The InChIKey is LFARMRQNSZPNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-6-13(7-8-17(2)3)9-14-10-15(18)12-16(11-14)19-4/h10-13,18H,5-9H2,1-4H3.
What are the key properties of 3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-methoxyphenol?
3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-methoxyphenol has a molecular weight of 265.40 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-methoxyphenol is sourced from PubChem (CID 154938657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).