4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenol

C16H19NO — CID 162674613

IUPAC4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenol
SMILESCc1cc(CCN)ccc1Cc1ccc(O)cc1
InChIInChI=1S/C16H19NO/c1-12-10-14(8-9-17)2-5-15(12)11-13-3-6-16(18)7-4-13/h2-7,10,18H,8-9,11,17H2,1H3
InChIKeyCYLOPQBZFUMRJN-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.79
Rot. Bonds4

About 4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenol

4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenol (PubChem CID 162674613) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenol
PubChem CID162674613
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenol
SMILESCc1cc(CCN)ccc1Cc1ccc(O)cc1
InChIInChI=1S/C16H19NO/c1-12-10-14(8-9-17)2-5-15(12)11-13-3-6-16(18)7-4-13/h2-7,10,18H,8-9,11,17H2,1H3
InChIKeyCYLOPQBZFUMRJN-UHFFFAOYSA-N
XLogP2.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenol?
The IUPAC name of 4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenol (CID 162674613) is 4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenol.
What is the SMILES notation for 4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenol?
The canonical SMILES for 4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenol is Cc1cc(CCN)ccc1Cc1ccc(O)cc1.
What is the InChIKey of 4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenol?
The InChIKey is CYLOPQBZFUMRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-10-14(8-9-17)2-5-15(12)11-13-3-6-16(18)7-4-13/h2-7,10,18H,8-9,11,17H2,1H3.
What are the key properties of 4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenol?
4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenol has a molecular weight of 241.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]phenol is sourced from PubChem (CID 162674613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).