3-[(2S)-1-(dimethylamino)-2-methylpentan-2-yl]phenol

C14H23NO — CID 144847986

IUPAC3-[(2S)-1-(dimethylamino)-2-methylpentan-2-yl]phenol
SMILESCCC[C@](C)(CN(C)C)c1cccc(O)c1
InChIInChI=1S/C14H23NO/c1-5-9-14(2,11-15(3)4)12-7-6-8-13(16)10-12/h6-8,10,16H,5,9,11H2,1-4H3/t14-/m1/s1
InChIKeyPMBAZLWUTXJXKH-CQSZACIVSA-N
MW221.34 g/mol
LogP3.01
Rot. Bonds5

About 3-[(2S)-1-(dimethylamino)-2-methylpentan-2-yl]phenol

3-[(2S)-1-(dimethylamino)-2-methylpentan-2-yl]phenol (PubChem CID 144847986) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-[(2S)-1-(dimethylamino)-2-methylpentan-2-yl]phenol.

Molecular Properties

Compound Name3-[(2S)-1-(dimethylamino)-2-methylpentan-2-yl]phenol
PubChem CID144847986
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-[(2S)-1-(dimethylamino)-2-methylpentan-2-yl]phenol
SMILESCCC[C@](C)(CN(C)C)c1cccc(O)c1
InChIInChI=1S/C14H23NO/c1-5-9-14(2,11-15(3)4)12-7-6-8-13(16)10-12/h6-8,10,16H,5,9,11H2,1-4H3/t14-/m1/s1
InChIKeyPMBAZLWUTXJXKH-CQSZACIVSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2S)-1-(dimethylamino)-2-methylpentan-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-hydroxyphenyl)-2-methylpentanoic acid
CID 150101497
3-(2-hydroxyhexan-2-yl)phenol
CID 21280529
3-[(2R,3R)-4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol;hydrochloride
CID 70159443
3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
CID 20564680
3-(3-aminopentan-3-yl)phenol
CID 23618552
3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol
CID 57265568
3-(2-amino-1,1-difluoro-2-methylpropyl)phenol
CID 105453347
3-(2-hydroperoxypropan-2-yl)phenol
CID 14576497
3-(1,1-difluoro-2-methylpropan-2-yl)phenol
CID 105442000
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide
CID 110026112
4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid
CID 66323839
2-[formyl(propyl)amino]-2-(3-hydroxyphenyl)propanoic acid
CID 55232605

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-(dimethylamino)-2-methylpentan-2-yl]phenol?
The IUPAC name of 3-[(2S)-1-(dimethylamino)-2-methylpentan-2-yl]phenol (CID 144847986) is 3-[(2S)-1-(dimethylamino)-2-methylpentan-2-yl]phenol.
What is the SMILES notation for 3-[(2S)-1-(dimethylamino)-2-methylpentan-2-yl]phenol?
The canonical SMILES for 3-[(2S)-1-(dimethylamino)-2-methylpentan-2-yl]phenol is CCC[C@](C)(CN(C)C)c1cccc(O)c1.
What is the InChIKey of 3-[(2S)-1-(dimethylamino)-2-methylpentan-2-yl]phenol?
The InChIKey is PMBAZLWUTXJXKH-CQSZACIVSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-9-14(2,11-15(3)4)12-7-6-8-13(16)10-12/h6-8,10,16H,5,9,11H2,1-4H3/t14-/m1/s1.
What are the key properties of 3-[(2S)-1-(dimethylamino)-2-methylpentan-2-yl]phenol?
3-[(2S)-1-(dimethylamino)-2-methylpentan-2-yl]phenol has a molecular weight of 221.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-(dimethylamino)-2-methylpentan-2-yl]phenol is sourced from PubChem (CID 144847986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).