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

C11H16N2O — CID 117242576

IUPAC3-[1-amino-2-(cyclopropylamino)ethyl]phenol
SMILESNC(CNC1CC1)c1cccc(O)c1
InChIInChI=1S/C11H16N2O/c12-11(7-13-9-4-5-9)8-2-1-3-10(14)6-8/h1-3,6,9,11,13-14H,4-5,7,12H2
InChIKeyGUDKMZRTYSKVGB-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.14
Rot. Bonds4

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

3-[1-amino-2-(cyclopropylamino)ethyl]phenol (PubChem CID 117242576) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-[1-amino-2-(cyclopropylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-amino-2-(cyclopropylamino)ethyl]phenol
PubChem CID117242576
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-[1-amino-2-(cyclopropylamino)ethyl]phenol
SMILESNC(CNC1CC1)c1cccc(O)c1
InChIInChI=1S/C11H16N2O/c12-11(7-13-9-4-5-9)8-2-1-3-10(14)6-8/h1-3,6,9,11,13-14H,4-5,7,12H2
InChIKeyGUDKMZRTYSKVGB-UHFFFAOYSA-N
XLogP1.14
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-amino-2-(cyclobutylamino)ethyl]phenol
CID 117242584
N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 117242573
3-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol
CID 117242834
3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171218055
3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid
CID 117243215
3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
CID 171218060
3-[amino(cyclohexyl)methyl]phenol
CID 105457850
3-(1-amino-2-fluoroethyl)phenol
CID 83815443
3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol
CID 91038592
3-[(1S)-1-aminopropyl]phenol;hydrochloride
CID 138989201
3-[(1R)-1-amino-3-methylbutyl]phenol
CID 130824054
N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine
CID 114547176

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-2-(cyclopropylamino)ethyl]phenol?
The IUPAC name of 3-[1-amino-2-(cyclopropylamino)ethyl]phenol (CID 117242576) is 3-[1-amino-2-(cyclopropylamino)ethyl]phenol.
What is the SMILES notation for 3-[1-amino-2-(cyclopropylamino)ethyl]phenol?
The canonical SMILES for 3-[1-amino-2-(cyclopropylamino)ethyl]phenol is NC(CNC1CC1)c1cccc(O)c1.
What is the InChIKey of 3-[1-amino-2-(cyclopropylamino)ethyl]phenol?
The InChIKey is GUDKMZRTYSKVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-11(7-13-9-4-5-9)8-2-1-3-10(14)6-8/h1-3,6,9,11,13-14H,4-5,7,12H2.
What are the key properties of 3-[1-amino-2-(cyclopropylamino)ethyl]phenol?
3-[1-amino-2-(cyclopropylamino)ethyl]phenol has a molecular weight of 192.26 g/mol, XLogP of 1.14, 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-(cyclopropylamino)ethyl]phenol is sourced from PubChem (CID 117242576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).