4-(2-aminoethyl)phenol;4-[1-hydroxy-2-(methylamino)ethyl]phenol

C17H24N2O3 — CID 67313836

IUPAC4-(2-aminoethyl)phenol;4-[1-hydroxy-2-(methylamino)ethyl]phenol
SMILESCNCC(O)c1ccc(O)cc1.NCCc1ccc(O)cc1
InChIInChI=1S/C9H13NO2.C8H11NO/c1-10-6-9(12)7-2-4-8(11)5-3-7;9-6-5-7-1-3-8(10)4-2-7/h2-5,9-12H,6H2,1H3;1-4,10H,5-6,9H2
InChIKeyGVFUVTBHTCWJQO-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.54
Rot. Bonds5

About 4-(2-aminoethyl)phenol;4-[1-hydroxy-2-(methylamino)ethyl]phenol

4-(2-aminoethyl)phenol;4-[1-hydroxy-2-(methylamino)ethyl]phenol (PubChem CID 67313836) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-(2-aminoethyl)phenol;4-[1-hydroxy-2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name4-(2-aminoethyl)phenol;4-[1-hydroxy-2-(methylamino)ethyl]phenol
PubChem CID67313836
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name4-(2-aminoethyl)phenol;4-[1-hydroxy-2-(methylamino)ethyl]phenol
SMILESCNCC(O)c1ccc(O)cc1.NCCc1ccc(O)cc1
InChIInChI=1S/C9H13NO2.C8H11NO/c1-10-6-9(12)7-2-4-8(11)5-3-7;9-6-5-7-1-3-8(10)4-2-7/h2-5,9-12H,6H2,1H3;1-4,10H,5-6,9H2
InChIKeyGVFUVTBHTCWJQO-UHFFFAOYSA-N
XLogP1.54
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-1-(4-propylphenyl)ethanol
CID 64988870
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
CID 54511815
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrobromide
CID 173443354
4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
CID 14010333
(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
CID 76959355
4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol
CID 174651155
4-(2-aminoethyl)phenol;phosphoric acid
CID 3029836
3-(2-aminoethyl)-1H-indol-5-ol;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
CID 67527789
4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 11565452
4-(2-aminoethyl)phenol;N,N'-di(propan-2-yl)methanediimine
CID 131740920
[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium
CID 38988422

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)phenol;4-[1-hydroxy-2-(methylamino)ethyl]phenol?
The IUPAC name of 4-(2-aminoethyl)phenol;4-[1-hydroxy-2-(methylamino)ethyl]phenol (CID 67313836) is 4-(2-aminoethyl)phenol;4-[1-hydroxy-2-(methylamino)ethyl]phenol.
What is the SMILES notation for 4-(2-aminoethyl)phenol;4-[1-hydroxy-2-(methylamino)ethyl]phenol?
The canonical SMILES for 4-(2-aminoethyl)phenol;4-[1-hydroxy-2-(methylamino)ethyl]phenol is CNCC(O)c1ccc(O)cc1.NCCc1ccc(O)cc1.
What is the InChIKey of 4-(2-aminoethyl)phenol;4-[1-hydroxy-2-(methylamino)ethyl]phenol?
The InChIKey is GVFUVTBHTCWJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.C8H11NO/c1-10-6-9(12)7-2-4-8(11)5-3-7;9-6-5-7-1-3-8(10)4-2-7/h2-5,9-12H,6H2,1H3;1-4,10H,5-6,9H2.
What are the key properties of 4-(2-aminoethyl)phenol;4-[1-hydroxy-2-(methylamino)ethyl]phenol?
4-(2-aminoethyl)phenol;4-[1-hydroxy-2-(methylamino)ethyl]phenol has a molecular weight of 304.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)phenol;4-[1-hydroxy-2-(methylamino)ethyl]phenol is sourced from PubChem (CID 67313836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).