5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol

C18H21NO2 — CID 43790697

IUPAC5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol
SMILESCOc1ccc(NC(c2ccc(C)cc2)C2CC2)cc1O
InChIInChI=1S/C18H21NO2/c1-12-3-5-13(6-4-12)18(14-7-8-14)19-15-9-10-17(21-2)16(20)11-15/h3-6,9-11,14,18-20H,7-8H2,1-2H3
InChIKeyLUAAPFFWUDJMOT-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.27
Rot. Bonds5

About 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol

5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol (PubChem CID 43790697) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol
PubChem CID43790697
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol
SMILESCOc1ccc(NC(c2ccc(C)cc2)C2CC2)cc1O
InChIInChI=1S/C18H21NO2/c1-12-3-5-13(6-4-12)18(14-7-8-14)19-15-9-10-17(21-2)16(20)11-15/h3-6,9-11,14,18-20H,7-8H2,1-2H3
InChIKeyLUAAPFFWUDJMOT-UHFFFAOYSA-N
XLogP4.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline
CID 43765997
N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline
CID 43757802
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline
CID 43764004
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methylsulfanylaniline
CID 43759158
5-[(R)-amino(cyclopropyl)methyl]-2-methoxyphenol
CID 55254634
N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylsulfanylaniline
CID 43757286
2-methoxy-5-(3-methylbutan-2-ylamino)phenol
CID 43743784
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline
CID 43765565
5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol
CID 171160742
N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 24625885
2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 83838639
2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol
CID 43743729

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol?
The IUPAC name of 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol (CID 43790697) is 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol.
What is the SMILES notation for 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol?
The canonical SMILES for 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol is COc1ccc(NC(c2ccc(C)cc2)C2CC2)cc1O.
What is the InChIKey of 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol?
The InChIKey is LUAAPFFWUDJMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-3-5-13(6-4-12)18(14-7-8-14)19-15-9-10-17(21-2)16(20)11-15/h3-6,9-11,14,18-20H,7-8H2,1-2H3.
What are the key properties of 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol?
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol has a molecular weight of 283.37 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol is sourced from PubChem (CID 43790697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).