3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol

C14H14ClNO2 — CID 117242718

IUPAC3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol
SMILESNC(COc1cccc(Cl)c1)c1cccc(O)c1
InChIInChI=1S/C14H14ClNO2/c15-11-4-2-6-13(8-11)18-9-14(16)10-3-1-5-12(17)7-10/h1-8,14,17H,9,16H2
InChIKeyXHMBEASPWGRWFD-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.12
Rot. Bonds4

About 3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol

3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol (PubChem CID 117242718) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol.

Molecular Properties

Compound Name3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol
PubChem CID117242718
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol
SMILESNC(COc1cccc(Cl)c1)c1cccc(O)c1
InChIInChI=1S/C14H14ClNO2/c15-11-4-2-6-13(8-11)18-9-14(16)10-3-1-5-12(17)7-10/h1-8,14,17H,9,16H2
InChIKeyXHMBEASPWGRWFD-UHFFFAOYSA-N
XLogP3.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-amino-2-(3-bromophenoxy)ethyl]phenol
CID 117242719
3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
CID 117243432
1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
CID 105164447
1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 117242744
3-[2-amino-2-(4-methylphenyl)ethoxy]phenol
CID 117244597
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 105144621
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
2-(3-chlorophenoxy)-1-quinolin-6-ylethanamine
CID 105172313
3-[1-amino-2-[(5-chloro-1,2-benzoxazol-3-yl)oxy]ethyl]phenol
CID 23368377
4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol
CID 117244629
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
3-(3-chlorophenoxy)propane-1,2-diamine
CID 70391291

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol?
The IUPAC name of 3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol (CID 117242718) is 3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol.
What is the SMILES notation for 3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol?
The canonical SMILES for 3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol is NC(COc1cccc(Cl)c1)c1cccc(O)c1.
What is the InChIKey of 3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol?
The InChIKey is XHMBEASPWGRWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c15-11-4-2-6-13(8-11)18-9-14(16)10-3-1-5-12(17)7-10/h1-8,14,17H,9,16H2.
What are the key properties of 3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol?
3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol has a molecular weight of 263.72 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol is sourced from PubChem (CID 117242718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).