3-[(4-cyclopropylphenyl)methylamino]-2,6-dimethylphenol

C18H21NO — CID 79978851

IUPAC3-[(4-cyclopropylphenyl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2ccc(C3CC3)cc2)c(C)c1O
InChIInChI=1S/C18H21NO/c1-12-3-10-17(13(2)18(12)20)19-11-14-4-6-15(7-5-14)16-8-9-16/h3-7,10,16,19-20H,8-9,11H2,1-2H3
InChIKeyIWFLGNMKQJDNPW-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.50
Rot. Bonds4

About 3-[(4-cyclopropylphenyl)methylamino]-2,6-dimethylphenol

3-[(4-cyclopropylphenyl)methylamino]-2,6-dimethylphenol (PubChem CID 79978851) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[(4-cyclopropylphenyl)methylamino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[(4-cyclopropylphenyl)methylamino]-2,6-dimethylphenol
PubChem CID79978851
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-[(4-cyclopropylphenyl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2ccc(C3CC3)cc2)c(C)c1O
InChIInChI=1S/C18H21NO/c1-12-3-10-17(13(2)18(12)20)19-11-14-4-6-15(7-5-14)16-8-9-16/h3-7,10,16,19-20H,8-9,11H2,1-2H3
InChIKeyIWFLGNMKQJDNPW-UHFFFAOYSA-N
XLogP4.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopropylphenyl)methylamino]-2,6-dimethylphenol?
The IUPAC name of 3-[(4-cyclopropylphenyl)methylamino]-2,6-dimethylphenol (CID 79978851) is 3-[(4-cyclopropylphenyl)methylamino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[(4-cyclopropylphenyl)methylamino]-2,6-dimethylphenol?
The canonical SMILES for 3-[(4-cyclopropylphenyl)methylamino]-2,6-dimethylphenol is Cc1ccc(NCc2ccc(C3CC3)cc2)c(C)c1O.
What is the InChIKey of 3-[(4-cyclopropylphenyl)methylamino]-2,6-dimethylphenol?
The InChIKey is IWFLGNMKQJDNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-12-3-10-17(13(2)18(12)20)19-11-14-4-6-15(7-5-14)16-8-9-16/h3-7,10,16,19-20H,8-9,11H2,1-2H3.
What are the key properties of 3-[(4-cyclopropylphenyl)methylamino]-2,6-dimethylphenol?
3-[(4-cyclopropylphenyl)methylamino]-2,6-dimethylphenol has a molecular weight of 267.37 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropylphenyl)methylamino]-2,6-dimethylphenol is sourced from PubChem (CID 79978851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).