5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol

C18H24N2O — CID 79590195

IUPAC5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol
SMILESCCCNC(C)c1ccc(N(C)c2ccccc2)cc1O
InChIInChI=1S/C18H24N2O/c1-4-12-19-14(2)17-11-10-16(13-18(17)21)20(3)15-8-6-5-7-9-15/h5-11,13-14,19,21H,4,12H2,1-3H3
InChIKeyPKBKAEIRILAUOI-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.22
Rot. Bonds6

About 5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol

5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol (PubChem CID 79590195) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol.

Molecular Properties

Compound Name5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol
PubChem CID79590195
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol
SMILESCCCNC(C)c1ccc(N(C)c2ccccc2)cc1O
InChIInChI=1S/C18H24N2O/c1-4-12-19-14(2)17-11-10-16(13-18(17)21)20(3)15-8-6-5-7-9-15/h5-11,13-14,19,21H,4,12H2,1-3H3
InChIKeyPKBKAEIRILAUOI-UHFFFAOYSA-N
XLogP4.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[methyl(3-methylbutyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79603970
2-(1-hydroxyethyl)-5-(N-methylanilino)phenol
CID 79603574
5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79603717
5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 107200476
5-[methyl(oxan-4-yl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79590461
5-[cyclopentylmethyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79591221
5-bromo-2-[1-(propylamino)ethyl]phenol
CID 82976016
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol
CID 79603823
N-ethyl-N-phenyl-2-[1-(propylamino)ethyl]aniline
CID 43284277
2-[1-(methylamino)ethyl]-5-(N,3,5-trimethylanilino)phenol
CID 79590960
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995

Frequently Asked Questions

What is the IUPAC name of 5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol?
The IUPAC name of 5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol (CID 79590195) is 5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol.
What is the SMILES notation for 5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol?
The canonical SMILES for 5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol is CCCNC(C)c1ccc(N(C)c2ccccc2)cc1O.
What is the InChIKey of 5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol?
The InChIKey is PKBKAEIRILAUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-12-19-14(2)17-11-10-16(13-18(17)21)20(3)15-8-6-5-7-9-15/h5-11,13-14,19,21H,4,12H2,1-3H3.
What are the key properties of 5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol?
5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol has a molecular weight of 284.40 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol is sourced from PubChem (CID 79590195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).