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

C13H20N2O — CID 117243823

IUPAC2-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol
SMILESNCC(CNC1CCC1)c1ccccc1O
InChIInChI=1S/C13H20N2O/c14-8-10(9-15-11-4-3-5-11)12-6-1-2-7-13(12)16/h1-2,6-7,10-11,15-16H,3-5,8-9,14H2
InChIKeyPZJVSOLMIPZXLD-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.58
Rot. Bonds5

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

2-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol (PubChem CID 117243823) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol.

Molecular Properties

Compound Name2-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol
PubChem CID117243823
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol
SMILESNCC(CNC1CCC1)c1ccccc1O
InChIInChI=1S/C13H20N2O/c14-8-10(9-15-11-4-3-5-11)12-6-1-2-7-13(12)16/h1-2,6-7,10-11,15-16H,3-5,8-9,14H2
InChIKeyPZJVSOLMIPZXLD-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-3-(cyclobutylamino)propan-2-yl]phenol
CID 117242834
2-[1-amino-3-(methylamino)propan-2-yl]phenol
CID 20546109
2-benzyl-N'-cyclobutylpropane-1,3-diamine
CID 117241558
N'-cyclopentyl-2-pyridin-4-ylpropane-1,3-diamine
CID 117246505
5-(cyclobutylamino)-4-phenylpentan-2-ol
CID 110021962
1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine
CID 117243579
2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid
CID 117244167
2-(1-cyclobutyl-2-hydroxyethyl)phenol
CID 115019132
N-(2-phenylbutyl)cyclopentanamine
CID 60664890
1-(2-aminophenyl)-2-(cyclopropylamino)ethanol
CID 115019176
N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 105476318
1-[3-amino-2-(2-hydroxyphenyl)propyl]pyrrolidin-2-one
CID 105494553

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol?
The IUPAC name of 2-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol (CID 117243823) is 2-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol.
What is the SMILES notation for 2-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol?
The canonical SMILES for 2-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol is NCC(CNC1CCC1)c1ccccc1O.
What is the InChIKey of 2-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol?
The InChIKey is PZJVSOLMIPZXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-8-10(9-15-11-4-3-5-11)12-6-1-2-7-13(12)16/h1-2,6-7,10-11,15-16H,3-5,8-9,14H2.
What are the key properties of 2-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol?
2-[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 2-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol is sourced from PubChem (CID 117243823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).