2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol

C14H22N2O2 — CID 102863464

IUPAC2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol
SMILESCC(N)c1ccc(N(CCO)C2CCC2)cc1O
InChIInChI=1S/C14H22N2O2/c1-10(15)13-6-5-12(9-14(13)18)16(7-8-17)11-3-2-4-11/h5-6,9-11,17-18H,2-4,7-8,15H2,1H3
InChIKeyMMMOPLMUVWWPPQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.76
Rot. Bonds5

About 2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol

2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol (PubChem CID 102863464) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol
PubChem CID102863464
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol
SMILESCC(N)c1ccc(N(CCO)C2CCC2)cc1O
InChIInChI=1S/C14H22N2O2/c1-10(15)13-6-5-12(9-14(13)18)16(7-8-17)11-3-2-4-11/h5-6,9-11,17-18H,2-4,7-8,15H2,1H3
InChIKeyMMMOPLMUVWWPPQ-UHFFFAOYSA-N
XLogP1.76
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]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

5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol
CID 102864148
2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol
CID 78935648
2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
CID 102863448
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol
CID 62945689
3-[3-chloro-N-cyclobutyl-4-(1-hydroxyethyl)anilino]propan-1-ol
CID 102864101
4-[cyclohexyl(2-hydroxyethyl)amino]-2-methylbenzenecarbothioamide
CID 81277043
2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol
CID 107200479
2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 78935565
2-[2-[(1S)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 63368640
2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol
CID 79600602
2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol
CID 55152420

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol?
The IUPAC name of 2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol (CID 102863464) is 2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol.
What is the SMILES notation for 2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol?
The canonical SMILES for 2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol is CC(N)c1ccc(N(CCO)C2CCC2)cc1O.
What is the InChIKey of 2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol?
The InChIKey is MMMOPLMUVWWPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(15)13-6-5-12(9-14(13)18)16(7-8-17)11-3-2-4-11/h5-6,9-11,17-18H,2-4,7-8,15H2,1H3.
What are the key properties of 2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol?
2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol has a molecular weight of 250.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol is sourced from PubChem (CID 102863464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).