2-[3-(2-aminoethyl)-4-methylphenyl]phenol

C15H17NO — CID 115036227

IUPAC2-[3-(2-aminoethyl)-4-methylphenyl]phenol
SMILESCc1ccc(-c2ccccc2O)cc1CCN
InChIInChI=1S/C15H17NO/c1-11-6-7-13(10-12(11)8-9-16)14-4-2-3-5-15(14)17/h2-7,10,17H,8-9,16H2,1H3
InChIKeyUXNJXMVPVULXSN-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.87
Rot. Bonds3

About 2-[3-(2-aminoethyl)-4-methylphenyl]phenol

2-[3-(2-aminoethyl)-4-methylphenyl]phenol (PubChem CID 115036227) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-4-methylphenyl]phenol.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-4-methylphenyl]phenol
PubChem CID115036227
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-[3-(2-aminoethyl)-4-methylphenyl]phenol
SMILESCc1ccc(-c2ccccc2O)cc1CCN
InChIInChI=1S/C15H17NO/c1-11-6-7-13(10-12(11)8-9-16)14-4-2-3-5-15(14)17/h2-7,10,17H,8-9,16H2,1H3
InChIKeyUXNJXMVPVULXSN-UHFFFAOYSA-N
XLogP2.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-5-phenylphenyl)ethanamine
CID 115027519
5-(2-hydroxyphenyl)-2-methylphenol
CID 53218780
2-[5-(2-aminoethyl)-2-methylphenyl]phenol
CID 115036237
2-[3-(aminomethyl)-4-bromophenyl]phenol
CID 115051252
2-[3-(aminomethyl)-4-chlorophenyl]phenol
CID 115039900
3-(2-aminoethyl)-4-methylaniline
CID 83384141
2-butyl-4-(2-fluorophenyl)-1-methylbenzene
CID 146534667
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
2-(3-butyl-4-phenylphenyl)phenol
CID 174552804
2-[3-(4-methylphenyl)phenyl]phenol
CID 123237634
2-[5-[[3-(2-aminoethyl)-4-methylphenyl]diazenyl]-2-methylphenyl]ethanamine
CID 164763755
2-(4-methoxy-3-methylphenyl)phenol
CID 53218559

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)-4-methylphenyl]phenol?
The IUPAC name of 2-[3-(2-aminoethyl)-4-methylphenyl]phenol (CID 115036227) is 2-[3-(2-aminoethyl)-4-methylphenyl]phenol.
What is the SMILES notation for 2-[3-(2-aminoethyl)-4-methylphenyl]phenol?
The canonical SMILES for 2-[3-(2-aminoethyl)-4-methylphenyl]phenol is Cc1ccc(-c2ccccc2O)cc1CCN.
What is the InChIKey of 2-[3-(2-aminoethyl)-4-methylphenyl]phenol?
The InChIKey is UXNJXMVPVULXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-6-7-13(10-12(11)8-9-16)14-4-2-3-5-15(14)17/h2-7,10,17H,8-9,16H2,1H3.
What are the key properties of 2-[3-(2-aminoethyl)-4-methylphenyl]phenol?
2-[3-(2-aminoethyl)-4-methylphenyl]phenol has a molecular weight of 227.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)-4-methylphenyl]phenol is sourced from PubChem (CID 115036227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).