3-[(2S)-5-(dimethylamino)-2-hydroxypentyl]phenol

C13H21NO2 — CID 163507834

IUPAC3-[(2S)-5-(dimethylamino)-2-hydroxypentyl]phenol
SMILESCN(C)CCC[C@H](O)Cc1cccc(O)c1
InChIInChI=1S/C13H21NO2/c1-14(2)8-4-7-13(16)10-11-5-3-6-12(15)9-11/h3,5-6,9,13,15-16H,4,7-8,10H2,1-2H3/t13-/m0/s1
InChIKeyDABJARKAWMHXLU-ZDUSSCGKSA-N
MW223.32 g/mol
LogP1.64
Rot. Bonds6

About 3-[(2S)-5-(dimethylamino)-2-hydroxypentyl]phenol

3-[(2S)-5-(dimethylamino)-2-hydroxypentyl]phenol (PubChem CID 163507834) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[(2S)-5-(dimethylamino)-2-hydroxypentyl]phenol.

Molecular Properties

Compound Name3-[(2S)-5-(dimethylamino)-2-hydroxypentyl]phenol
PubChem CID163507834
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-[(2S)-5-(dimethylamino)-2-hydroxypentyl]phenol
SMILESCN(C)CCC[C@H](O)Cc1cccc(O)c1
InChIInChI=1S/C13H21NO2/c1-14(2)8-4-7-13(16)10-11-5-3-6-12(15)9-11/h3,5-6,9,13,15-16H,4,7-8,10H2,1-2H3/t13-/m0/s1
InChIKeyDABJARKAWMHXLU-ZDUSSCGKSA-N
XLogP1.64
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]phenol
CID 154938359
5-(dimethylamino)-1-naphthalen-1-ylpentan-2-ol
CID 70057285
3-(2-sulfanylpropyl)phenol
CID 115013475
5-(3-hydroxyphenyl)pentane-1,3,4-triol
CID 175541454
3-(3-hydroxypentyl)phenol
CID 21193621
5-chloro-1-(3-methylphenyl)pentan-2-ol
CID 66043960
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol
CID 103734415
3-(3-hydroxy-2-methylpentyl)phenol
CID 19426978
3-[2-[methyl(propan-2-yl)amino]ethyl]phenol
CID 167492179
1-(3-tert-butylphenyl)hexan-2-ol
CID 71163599
3-[3-(hydroxymethyl)-4-(3-hydroxyphenyl)-2-methylbutyl]phenol
CID 142337153

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-5-(dimethylamino)-2-hydroxypentyl]phenol?
The IUPAC name of 3-[(2S)-5-(dimethylamino)-2-hydroxypentyl]phenol (CID 163507834) is 3-[(2S)-5-(dimethylamino)-2-hydroxypentyl]phenol.
What is the SMILES notation for 3-[(2S)-5-(dimethylamino)-2-hydroxypentyl]phenol?
The canonical SMILES for 3-[(2S)-5-(dimethylamino)-2-hydroxypentyl]phenol is CN(C)CCC[C@H](O)Cc1cccc(O)c1.
What is the InChIKey of 3-[(2S)-5-(dimethylamino)-2-hydroxypentyl]phenol?
The InChIKey is DABJARKAWMHXLU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21NO2/c1-14(2)8-4-7-13(16)10-11-5-3-6-12(15)9-11/h3,5-6,9,13,15-16H,4,7-8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-[(2S)-5-(dimethylamino)-2-hydroxypentyl]phenol?
3-[(2S)-5-(dimethylamino)-2-hydroxypentyl]phenol has a molecular weight of 223.32 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-5-(dimethylamino)-2-hydroxypentyl]phenol is sourced from PubChem (CID 163507834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).