4-[1-(3-methylbutan-2-ylamino)ethyl]phenol

C13H21NO — CID 43131345

IUPAC4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
SMILESCC(NC(C)C(C)C)c1ccc(O)cc1
InChIInChI=1S/C13H21NO/c1-9(2)10(3)14-11(4)12-5-7-13(15)8-6-12/h5-11,14-15H,1-4H3
InChIKeyYNVFMEVRPYSFND-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.09
Rot. Bonds4

About 4-[1-(3-methylbutan-2-ylamino)ethyl]phenol

4-[1-(3-methylbutan-2-ylamino)ethyl]phenol (PubChem CID 43131345) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[1-(3-methylbutan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
PubChem CID43131345
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
SMILESCC(NC(C)C(C)C)c1ccc(O)cc1
InChIInChI=1S/C13H21NO/c1-9(2)10(3)14-11(4)12-5-7-13(15)8-6-12/h5-11,14-15H,1-4H3
InChIKeyYNVFMEVRPYSFND-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-(3-methylbutan-2-ylamino)ethyl]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

4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol
CID 54953461
methyl 2-[1-(4-hydroxyphenyl)ethylamino]-3-methylbutanoate
CID 43383228
2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131291
4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 115494469
4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol
CID 43680984
4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol
CID 115494470
4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81349500
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 43131289
4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol
CID 43205919
4-[1-(1-cyclohexylethylamino)ethyl]phenol
CID 62405535
4-[1-(heptan-2-ylamino)ethyl]phenol
CID 43572743
[(1R)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69395015

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methylbutan-2-ylamino)ethyl]phenol?
The IUPAC name of 4-[1-(3-methylbutan-2-ylamino)ethyl]phenol (CID 43131345) is 4-[1-(3-methylbutan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 4-[1-(3-methylbutan-2-ylamino)ethyl]phenol?
The canonical SMILES for 4-[1-(3-methylbutan-2-ylamino)ethyl]phenol is CC(NC(C)C(C)C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(3-methylbutan-2-ylamino)ethyl]phenol?
The InChIKey is YNVFMEVRPYSFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)10(3)14-11(4)12-5-7-13(15)8-6-12/h5-11,14-15H,1-4H3.
What are the key properties of 4-[1-(3-methylbutan-2-ylamino)ethyl]phenol?
4-[1-(3-methylbutan-2-ylamino)ethyl]phenol has a molecular weight of 207.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methylbutan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 43131345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).