4-[1-amino-2-(4-methylphenoxy)ethyl]phenol

C15H17NO2 — CID 117244673

IUPAC4-[1-amino-2-(4-methylphenoxy)ethyl]phenol
SMILESCc1ccc(OCC(N)c2ccc(O)cc2)cc1
InChIInChI=1S/C15H17NO2/c1-11-2-8-14(9-3-11)18-10-15(16)12-4-6-13(17)7-5-12/h2-9,15,17H,10,16H2,1H3
InChIKeyFGZJKEBQSAWYCU-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.78
Rot. Bonds4

About 4-[1-amino-2-(4-methylphenoxy)ethyl]phenol

4-[1-amino-2-(4-methylphenoxy)ethyl]phenol (PubChem CID 117244673) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[1-amino-2-(4-methylphenoxy)ethyl]phenol.

Molecular Properties

Compound Name4-[1-amino-2-(4-methylphenoxy)ethyl]phenol
PubChem CID117244673
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-[1-amino-2-(4-methylphenoxy)ethyl]phenol
SMILESCc1ccc(OCC(N)c2ccc(O)cc2)cc1
InChIInChI=1S/C15H17NO2/c1-11-2-8-14(9-3-11)18-10-15(16)12-4-6-13(17)7-5-12/h2-9,15,17H,10,16H2,1H3
InChIKeyFGZJKEBQSAWYCU-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

1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704
1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43105094
1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43106889
3-[2-amino-2-(4-methylphenyl)ethoxy]phenol
CID 117244597
4-[(1S)-1-amino-2-methoxyethyl]phenol
CID 55292260
4-[2-amino-2-(2-methylphenyl)ethoxy]phenol
CID 117243730
2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine
CID 16793482
1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 117242744
(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine
CID 39109844
4-(2-amino-3,3-dimethylbutoxy)phenol
CID 117242306
2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine
CID 43110699
2-(2-methoxyphenoxy)-1-(4-methylphenyl)ethanamine
CID 16783711

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-(4-methylphenoxy)ethyl]phenol?
The IUPAC name of 4-[1-amino-2-(4-methylphenoxy)ethyl]phenol (CID 117244673) is 4-[1-amino-2-(4-methylphenoxy)ethyl]phenol.
What is the SMILES notation for 4-[1-amino-2-(4-methylphenoxy)ethyl]phenol?
The canonical SMILES for 4-[1-amino-2-(4-methylphenoxy)ethyl]phenol is Cc1ccc(OCC(N)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1-amino-2-(4-methylphenoxy)ethyl]phenol?
The InChIKey is FGZJKEBQSAWYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-2-8-14(9-3-11)18-10-15(16)12-4-6-13(17)7-5-12/h2-9,15,17H,10,16H2,1H3.
What are the key properties of 4-[1-amino-2-(4-methylphenoxy)ethyl]phenol?
4-[1-amino-2-(4-methylphenoxy)ethyl]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 4-[1-amino-2-(4-methylphenoxy)ethyl]phenol is sourced from PubChem (CID 117244673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).