4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol

C18H23NO2 — CID 62327278

IUPAC4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol
SMILESCCCOc1ccc(NC(C)c2cc(C)ccc2O)cc1
InChIInChI=1S/C18H23NO2/c1-4-11-21-16-8-6-15(7-9-16)19-14(3)17-12-13(2)5-10-18(17)20/h5-10,12,14,19-20H,4,11H2,1-3H3
InChIKeyKVKNILGLIMIMLF-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.66
Rot. Bonds6

About 4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol

4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol (PubChem CID 62327278) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol
PubChem CID62327278
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol
SMILESCCCOc1ccc(NC(C)c2cc(C)ccc2O)cc1
InChIInChI=1S/C18H23NO2/c1-4-11-21-16-8-6-15(7-9-16)19-14(3)17-12-13(2)5-10-18(17)20/h5-10,12,14,19-20H,4,11H2,1-3H3
InChIKeyKVKNILGLIMIMLF-UHFFFAOYSA-N
XLogP4.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.66
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_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-propoxyanilino)ethyl]benzene-1,4-diol
CID 62329504
5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol
CID 63068191
2-[1-(4-butylanilino)ethyl]-4-methylphenol
CID 43504758
4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol
CID 2948111
2-[1-(3-propoxyanilino)ethyl]benzene-1,4-diol
CID 43693728
2-[1-(4-methylanilino)ethyl]benzene-1,4-diol
CID 43196503
4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
CID 43504634
2-[4-[1-(2-hydroxy-5-methylphenyl)ethylamino]phenyl]acetonitrile
CID 43722347
N-propan-2-yl-4-propoxyaniline
CID 21311809
4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol
CID 60944016
2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol
CID 62810550
2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol
CID 61169320

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol (CID 62327278) is 4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol is CCCOc1ccc(NC(C)c2cc(C)ccc2O)cc1.
What is the InChIKey of 4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol?
The InChIKey is KVKNILGLIMIMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-11-21-16-8-6-15(7-9-16)19-14(3)17-12-13(2)5-10-18(17)20/h5-10,12,14,19-20H,4,11H2,1-3H3.
What are the key properties of 4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol?
4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol is sourced from PubChem (CID 62327278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).