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

C18H30N2O — CID 79591221

IUPAC5-[cyclopentylmethyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol
SMILESCCCNC(C)c1ccc(N(C)CC2CCCC2)cc1O
InChIInChI=1S/C18H30N2O/c1-4-11-19-14(2)17-10-9-16(12-18(17)21)20(3)13-15-7-5-6-8-15/h9-10,12,14-15,19,21H,4-8,11,13H2,1-3H3
InChIKeyNBYDCKXPPHESJW-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.08
Rot. Bonds7

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

5-[cyclopentylmethyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol (PubChem CID 79591221) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-[cyclopentylmethyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol.

Molecular Properties

Compound Name5-[cyclopentylmethyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol
PubChem CID79591221
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name5-[cyclopentylmethyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol
SMILESCCCNC(C)c1ccc(N(C)CC2CCCC2)cc1O
InChIInChI=1S/C18H30N2O/c1-4-11-19-14(2)17-10-9-16(12-18(17)21)20(3)13-15-7-5-6-8-15/h9-10,12,14-15,19,21H,4-8,11,13H2,1-3H3
InChIKeyNBYDCKXPPHESJW-UHFFFAOYSA-N
XLogP4.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[methyl(3-methylbutyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79603970
5-[methyl(oxan-4-yl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79590461
5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 107200476
5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol
CID 79590195
5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79603717
N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine
CID 83123154
2-[1-(ethylamino)ethyl]-5-[methyl-(2-methylcyclohexyl)amino]phenol
CID 79590748
1-[2-bromo-4-[cyclopentylmethyl(methyl)amino]phenyl]ethanol
CID 114069779
4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol
CID 106008680
4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol
CID 113478638
5-bromo-2-[1-(propylamino)ethyl]phenol
CID 82976016
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopentylmethyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol?
The IUPAC name of 5-[cyclopentylmethyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol (CID 79591221) is 5-[cyclopentylmethyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol.
What is the SMILES notation for 5-[cyclopentylmethyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol?
The canonical SMILES for 5-[cyclopentylmethyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol is CCCNC(C)c1ccc(N(C)CC2CCCC2)cc1O.
What is the InChIKey of 5-[cyclopentylmethyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol?
The InChIKey is NBYDCKXPPHESJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-11-19-14(2)17-10-9-16(12-18(17)21)20(3)13-15-7-5-6-8-15/h9-10,12,14-15,19,21H,4-8,11,13H2,1-3H3.
What are the key properties of 5-[cyclopentylmethyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol?
5-[cyclopentylmethyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol has a molecular weight of 290.45 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopentylmethyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol is sourced from PubChem (CID 79591221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).