3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]phenol

C15H25NO — CID 154938359

IUPAC3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]phenol
SMILESCCCC(CCN(C)C)Cc1cccc(O)c1
InChIInChI=1S/C15H25NO/c1-4-6-13(9-10-16(2)3)11-14-7-5-8-15(17)12-14/h5,7-8,12-13,17H,4,6,9-11H2,1-3H3
InChIKeyDEWHHFINQXAIGJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.30
Rot. Bonds7

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

3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]phenol (PubChem CID 154938359) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]phenol.

Molecular Properties

Compound Name3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]phenol
PubChem CID154938359
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]phenol
SMILESCCCC(CCN(C)C)Cc1cccc(O)c1
InChIInChI=1S/C15H25NO/c1-4-6-13(9-10-16(2)3)11-14-7-5-8-15(17)12-14/h5,7-8,12-13,17H,4,6,9-11H2,1-3H3
InChIKeyDEWHHFINQXAIGJ-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-methoxyphenol
CID 154938657
3-[(2S)-5-(dimethylamino)-2-hydroxypentyl]phenol
CID 163507834
4-chloro-3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-fluorophenol
CID 154938504
1-but-1-en-2-yl-3-(2-propylpentyl)benzene
CID 143530317
3-[(heptan-4-ylamino)methyl]phenol
CID 115676717
3-(2-sulfanylpropyl)phenol
CID 115013475
1-[2-(chloromethyl)pentyl]-3-fluorobenzene
CID 66034090
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
3-[2-[methyl(propan-2-yl)amino]ethyl]phenol
CID 167492179
3-(3-hydroxy-2-methylpentyl)phenol
CID 19426978
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853
3-(propylaminomethyl)phenol
CID 10725714

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]phenol?
The IUPAC name of 3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]phenol (CID 154938359) is 3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]phenol.
What is the SMILES notation for 3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]phenol?
The canonical SMILES for 3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]phenol is CCCC(CCN(C)C)Cc1cccc(O)c1.
What is the InChIKey of 3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]phenol?
The InChIKey is DEWHHFINQXAIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-6-13(9-10-16(2)3)11-14-7-5-8-15(17)12-14/h5,7-8,12-13,17H,4,6,9-11H2,1-3H3.
What are the key properties of 3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]phenol?
3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]phenol has a molecular weight of 235.37 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]phenol is sourced from PubChem (CID 154938359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).