2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol

C14H24N2O2 — CID 107200479

IUPAC2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol
SMILESCC(N)c1ccc(N(C)CCCCCO)cc1O
InChIInChI=1S/C14H24N2O2/c1-11(15)13-7-6-12(10-14(13)18)16(2)8-4-3-5-9-17/h6-7,10-11,17-18H,3-5,8-9,15H2,1-2H3
InChIKeyBRBJNKYQTCFULM-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.01
Rot. Bonds7

About 2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol

2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol (PubChem CID 107200479) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol
PubChem CID107200479
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol
SMILESCC(N)c1ccc(N(C)CCCCCO)cc1O
InChIInChI=1S/C14H24N2O2/c1-11(15)13-7-6-12(10-14(13)18)16(2)8-4-3-5-9-17/h6-7,10-11,17-18H,3-5,8-9,15H2,1-2H3
InChIKeyBRBJNKYQTCFULM-UHFFFAOYSA-N
XLogP2.01
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 107200476
1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone
CID 107200376
2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol
CID 113475785
2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol
CID 79600602
5-(N,4-dimethylanilino)pentan-1-ol
CID 62226910
2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol
CID 102863464
2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol
CID 102994161
4-[[4-(1-aminoethyl)-3-hydroxy-N-methylanilino]methyl]oxan-4-ol
CID 114950022
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894
4-[6-hydroxyhexyl(methyl)amino]benzenecarbothioamide
CID 107703805
2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol
CID 79603547
2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol
CID 79603670

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol?
The IUPAC name of 2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol (CID 107200479) is 2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol.
What is the SMILES notation for 2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol?
The canonical SMILES for 2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol is CC(N)c1ccc(N(C)CCCCCO)cc1O.
What is the InChIKey of 2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol?
The InChIKey is BRBJNKYQTCFULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(15)13-7-6-12(10-14(13)18)16(2)8-4-3-5-9-17/h6-7,10-11,17-18H,3-5,8-9,15H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol?
2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol has a molecular weight of 252.36 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol is sourced from PubChem (CID 107200479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).