3-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol

C13H20N2O — CID 117242834

IUPAC3-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol
SMILESNCC(CNC1CCC1)c1cccc(O)c1
InChIInChI=1S/C13H20N2O/c14-8-11(9-15-12-4-2-5-12)10-3-1-6-13(16)7-10/h1,3,6-7,11-12,15-16H,2,4-5,8-9,14H2
InChIKeyGVOJHTCDVBZSOK-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.58
Rot. Bonds5

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

3-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol (PubChem CID 117242834) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol.

Molecular Properties

Compound Name3-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol
PubChem CID117242834
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol
SMILESNCC(CNC1CCC1)c1cccc(O)c1
InChIInChI=1S/C13H20N2O/c14-8-11(9-15-12-4-2-5-12)10-3-1-6-13(16)7-10/h1,3,6-7,11-12,15-16H,2,4-5,8-9,14H2
InChIKeyGVOJHTCDVBZSOK-UHFFFAOYSA-N
XLogP1.58
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-amino-2-(cyclobutylamino)ethyl]phenol
CID 117242584
3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid
CID 117243215
3-[1-amino-2-(cyclopropylamino)ethyl]phenol
CID 117242576
2-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol
CID 117243823
3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
CID 171218060
N'-cyclopentyl-2-pyridin-4-ylpropane-1,3-diamine
CID 117246505
3-[(cyclobutylamino)methyl]phenol
CID 62416890
3-[amino(cyclohexyl)methyl]phenol
CID 105457850
3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol
CID 91038592
1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea
CID 119060582
2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol
CID 117243012
5-(cyclobutylamino)-4-phenylpentan-2-ol
CID 110021962

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol?
The IUPAC name of 3-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol (CID 117242834) is 3-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol.
What is the SMILES notation for 3-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol?
The canonical SMILES for 3-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol is NCC(CNC1CCC1)c1cccc(O)c1.
What is the InChIKey of 3-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol?
The InChIKey is GVOJHTCDVBZSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-8-11(9-15-12-4-2-5-12)10-3-1-6-13(16)7-10/h1,3,6-7,11-12,15-16H,2,4-5,8-9,14H2.
What are the key properties of 3-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol?
3-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol has a molecular weight of 220.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol is sourced from PubChem (CID 117242834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).