2-[5-(2-aminoethyl)-2-methylphenyl]phenol

C15H17NO — CID 115036237

IUPAC2-[5-(2-aminoethyl)-2-methylphenyl]phenol
SMILESCc1ccc(CCN)cc1-c1ccccc1O
InChIInChI=1S/C15H17NO/c1-11-6-7-12(8-9-16)10-14(11)13-4-2-3-5-15(13)17/h2-7,10,17H,8-9,16H2,1H3
InChIKeyYYSWCGQRRAPHOK-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.87
Rot. Bonds3

About 2-[5-(2-aminoethyl)-2-methylphenyl]phenol

2-[5-(2-aminoethyl)-2-methylphenyl]phenol (PubChem CID 115036237) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[5-(2-aminoethyl)-2-methylphenyl]phenol.

Molecular Properties

Compound Name2-[5-(2-aminoethyl)-2-methylphenyl]phenol
PubChem CID115036237
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-[5-(2-aminoethyl)-2-methylphenyl]phenol
SMILESCc1ccc(CCN)cc1-c1ccccc1O
InChIInChI=1S/C15H17NO/c1-11-6-7-12(8-9-16)10-14(11)13-4-2-3-5-15(13)17/h2-7,10,17H,8-9,16H2,1H3
InChIKeyYYSWCGQRRAPHOK-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-[5-(2-aminoethyl)-2-chlorophenyl]phenol
CID 115046200
4-(2-aminoethyl)-2-(2-chlorophenyl)phenol;hydrochloride
CID 163801229
2-[4-methoxy-3-(2-methylphenyl)phenyl]ethanamine
CID 82038847
2-[3-(2-aminoethyl)-4-methylphenyl]phenol
CID 115036227
2-[3-(4-bromophenyl)-4-methylphenyl]ethanamine
CID 115052687
5-(2-aminoethyl)-2-methylaniline
CID 58409288
5-(2-aminoethyl)-2-(2-hydroxyphenyl)peroxyphenol
CID 154990277
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928
4-(2-aminoethyl)benzene-1,2-diol;methane
CID 175755753
ethane;2-(2-methylphenyl)phenol;propane
CID 142042568
4-(2-aminoethyl)benzene-1,2-diol;nickel
CID 175198518
CID 159860777
CID 159860777

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminoethyl)-2-methylphenyl]phenol?
The IUPAC name of 2-[5-(2-aminoethyl)-2-methylphenyl]phenol (CID 115036237) is 2-[5-(2-aminoethyl)-2-methylphenyl]phenol.
What is the SMILES notation for 2-[5-(2-aminoethyl)-2-methylphenyl]phenol?
The canonical SMILES for 2-[5-(2-aminoethyl)-2-methylphenyl]phenol is Cc1ccc(CCN)cc1-c1ccccc1O.
What is the InChIKey of 2-[5-(2-aminoethyl)-2-methylphenyl]phenol?
The InChIKey is YYSWCGQRRAPHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-6-7-12(8-9-16)10-14(11)13-4-2-3-5-15(13)17/h2-7,10,17H,8-9,16H2,1H3.
What are the key properties of 2-[5-(2-aminoethyl)-2-methylphenyl]phenol?
2-[5-(2-aminoethyl)-2-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-[5-(2-aminoethyl)-2-methylphenyl]phenol is sourced from PubChem (CID 115036237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).