3-[2-amino-2-(4-methylphenyl)ethoxy]phenol

C15H17NO2 — CID 117244597

IUPAC3-[2-amino-2-(4-methylphenyl)ethoxy]phenol
SMILESCc1ccc(C(N)COc2cccc(O)c2)cc1
InChIInChI=1S/C15H17NO2/c1-11-5-7-12(8-6-11)15(16)10-18-14-4-2-3-13(17)9-14/h2-9,15,17H,10,16H2,1H3
InChIKeyRMVSHQPUSWVLNG-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.78
Rot. Bonds4

About 3-[2-amino-2-(4-methylphenyl)ethoxy]phenol

3-[2-amino-2-(4-methylphenyl)ethoxy]phenol (PubChem CID 117244597) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[2-amino-2-(4-methylphenyl)ethoxy]phenol.

Molecular Properties

Compound Name3-[2-amino-2-(4-methylphenyl)ethoxy]phenol
PubChem CID117244597
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-[2-amino-2-(4-methylphenyl)ethoxy]phenol
SMILESCc1ccc(C(N)COc2cccc(O)c2)cc1
InChIInChI=1S/C15H17NO2/c1-11-5-7-12(8-6-11)15(16)10-18-14-4-2-3-13(17)9-14/h2-9,15,17H,10,16H2,1H3
InChIKeyRMVSHQPUSWVLNG-UHFFFAOYSA-N
XLogP2.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-amino-2-(4-methylphenoxy)ethyl]phenol
CID 117244673
3-[1-amino-2-(3-bromophenoxy)ethyl]phenol
CID 117242719
3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol
CID 117242718
1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43106889
2-(3-methylphenoxy)-1-naphthalen-2-ylethanamine
CID 43093388
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704
2-(3-tert-butylphenoxy)-1-phenylethanamine
CID 43351796
3-[1-hydroxy-2-(4-methylphenoxy)ethyl]phenol
CID 117242770
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
3-(2-fluoropropoxy)phenol
CID 84653742
1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43105094
2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(4-methylphenyl)ethoxy]phenol?
The IUPAC name of 3-[2-amino-2-(4-methylphenyl)ethoxy]phenol (CID 117244597) is 3-[2-amino-2-(4-methylphenyl)ethoxy]phenol.
What is the SMILES notation for 3-[2-amino-2-(4-methylphenyl)ethoxy]phenol?
The canonical SMILES for 3-[2-amino-2-(4-methylphenyl)ethoxy]phenol is Cc1ccc(C(N)COc2cccc(O)c2)cc1.
What is the InChIKey of 3-[2-amino-2-(4-methylphenyl)ethoxy]phenol?
The InChIKey is RMVSHQPUSWVLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-5-7-12(8-6-11)15(16)10-18-14-4-2-3-13(17)9-14/h2-9,15,17H,10,16H2,1H3.
What are the key properties of 3-[2-amino-2-(4-methylphenyl)ethoxy]phenol?
3-[2-amino-2-(4-methylphenyl)ethoxy]phenol has a molecular weight of 243.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(4-methylphenyl)ethoxy]phenol is sourced from PubChem (CID 117244597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).