3-[1-amino-2-(cyclobutylamino)ethyl]phenol

C12H18N2O — CID 117242584

IUPAC3-[1-amino-2-(cyclobutylamino)ethyl]phenol
SMILESNC(CNC1CCC1)c1cccc(O)c1
InChIInChI=1S/C12H18N2O/c13-12(8-14-10-4-2-5-10)9-3-1-6-11(15)7-9/h1,3,6-7,10,12,14-15H,2,4-5,8,13H2
InChIKeyUUMLXLJGMGLOKL-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.53
Rot. Bonds4

About 3-[1-amino-2-(cyclobutylamino)ethyl]phenol

3-[1-amino-2-(cyclobutylamino)ethyl]phenol (PubChem CID 117242584) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[1-amino-2-(cyclobutylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-amino-2-(cyclobutylamino)ethyl]phenol
PubChem CID117242584
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-[1-amino-2-(cyclobutylamino)ethyl]phenol
SMILESNC(CNC1CCC1)c1cccc(O)c1
InChIInChI=1S/C12H18N2O/c13-12(8-14-10-4-2-5-10)9-3-1-6-11(15)7-9/h1,3,6-7,10,12,14-15H,2,4-5,8,13H2
InChIKeyUUMLXLJGMGLOKL-UHFFFAOYSA-N
XLogP1.53
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[1-amino-2-(cyclobutylamino)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

3-[1-amino-2-(cyclopropylamino)ethyl]phenol
CID 117242576
3-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol
CID 117242834
3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid
CID 117243215
3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
CID 171218060
N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 117242573
3-[amino(cyclohexyl)methyl]phenol
CID 105457850
3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171218055
3-[(cyclobutylamino)methyl]phenol
CID 62416890
3-(1-amino-2-fluoroethyl)phenol
CID 83815443
(1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine
CID 69494477
3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol
CID 91038592
3-(2-amino-2-cyclobutylethoxy)phenol
CID 117245581

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-2-(cyclobutylamino)ethyl]phenol?
The IUPAC name of 3-[1-amino-2-(cyclobutylamino)ethyl]phenol (CID 117242584) is 3-[1-amino-2-(cyclobutylamino)ethyl]phenol.
What is the SMILES notation for 3-[1-amino-2-(cyclobutylamino)ethyl]phenol?
The canonical SMILES for 3-[1-amino-2-(cyclobutylamino)ethyl]phenol is NC(CNC1CCC1)c1cccc(O)c1.
What is the InChIKey of 3-[1-amino-2-(cyclobutylamino)ethyl]phenol?
The InChIKey is UUMLXLJGMGLOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-12(8-14-10-4-2-5-10)9-3-1-6-11(15)7-9/h1,3,6-7,10,12,14-15H,2,4-5,8,13H2.
What are the key properties of 3-[1-amino-2-(cyclobutylamino)ethyl]phenol?
3-[1-amino-2-(cyclobutylamino)ethyl]phenol has a molecular weight of 206.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-2-(cyclobutylamino)ethyl]phenol is sourced from PubChem (CID 117242584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).