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

C17H30N2O2 — CID 107200476

IUPAC5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol
SMILESCCCNC(C)c1ccc(N(C)CCCCCO)cc1O
InChIInChI=1S/C17H30N2O2/c1-4-10-18-14(2)16-9-8-15(13-17(16)21)19(3)11-6-5-7-12-20/h8-9,13-14,18,20-21H,4-7,10-12H2,1-3H3
InChIKeyBKOWLYKWZDIFSD-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.05
Rot. Bonds10

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

5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol (PubChem CID 107200476) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol.

Molecular Properties

Compound Name5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol
PubChem CID107200476
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol
SMILESCCCNC(C)c1ccc(N(C)CCCCCO)cc1O
InChIInChI=1S/C17H30N2O2/c1-4-10-18-14(2)16-9-8-15(13-17(16)21)19(3)11-6-5-7-12-20/h8-9,13-14,18,20-21H,4-7,10-12H2,1-3H3
InChIKeyBKOWLYKWZDIFSD-UHFFFAOYSA-N
XLogP3.05
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[methyl(3-methylbutyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79603970
2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol
CID 107200479
5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79603717
5-[cyclopentylmethyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79591221
5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol
CID 79590195
4-[1-(5-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 107316713
2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol
CID 107303108
5-[methyl(oxan-4-yl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79590461
2-[1-(ethylamino)ethyl]-5-[methyl(3,3,3-trifluoropropyl)amino]phenol
CID 79603229
5-[2-bromo-N-methyl-4-[1-(propylamino)ethyl]anilino]pentan-1-ol
CID 107200490
N-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline
CID 43295026
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581

Frequently Asked Questions

What is the IUPAC name of 5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol?
The IUPAC name of 5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol (CID 107200476) is 5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol.
What is the SMILES notation for 5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol?
The canonical SMILES for 5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol is CCCNC(C)c1ccc(N(C)CCCCCO)cc1O.
What is the InChIKey of 5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol?
The InChIKey is BKOWLYKWZDIFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-10-18-14(2)16-9-8-15(13-17(16)21)19(3)11-6-5-7-12-20/h8-9,13-14,18,20-21H,4-7,10-12H2,1-3H3.
What are the key properties of 5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol?
5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol has a molecular weight of 294.44 g/mol, XLogP of 3.05, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol is sourced from PubChem (CID 107200476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).