2-[3-amino-2-(3-chlorophenyl)propoxy]phenol

C15H16ClNO2 — CID 117242992

IUPAC2-[3-amino-2-(3-chlorophenyl)propoxy]phenol
SMILESNCC(COc1ccccc1O)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO2/c16-13-5-3-4-11(8-13)12(9-17)10-19-15-7-2-1-6-14(15)18/h1-8,12,18H,9-10,17H2
InChIKeyBFVDUIJCHLWNTB-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.17
Rot. Bonds5

About 2-[3-amino-2-(3-chlorophenyl)propoxy]phenol

2-[3-amino-2-(3-chlorophenyl)propoxy]phenol (PubChem CID 117242992) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-[3-amino-2-(3-chlorophenyl)propoxy]phenol.

Molecular Properties

Compound Name2-[3-amino-2-(3-chlorophenyl)propoxy]phenol
PubChem CID117242992
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-[3-amino-2-(3-chlorophenyl)propoxy]phenol
SMILESNCC(COc1ccccc1O)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO2/c16-13-5-3-4-11(8-13)12(9-17)10-19-15-7-2-1-6-14(15)18/h1-8,12,18H,9-10,17H2
InChIKeyBFVDUIJCHLWNTB-UHFFFAOYSA-N
XLogP3.17
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol
CID 117243012
2-(3-chlorophenyl)-3-phenoxypropan-1-amine
CID 117242977
2-[3-amino-2-(4-hydroxyphenyl)propoxy]phenol
CID 117244893
2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine
CID 117243107
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol
CID 117244895
2-[3-amino-2-(2-fluorophenyl)propoxy]phenol
CID 117243970
3-[1-(2-chlorophenoxy)-3-hydroxypropan-2-yl]phenol
CID 117243009
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
2-(3-chlorophenyl)-4-methoxybutan-1-amine
CID 79443641
2-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol
CID 117240543
4-(3-chlorophenyl)heptane-1,7-diamine
CID 170878710

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2-(3-chlorophenyl)propoxy]phenol?
The IUPAC name of 2-[3-amino-2-(3-chlorophenyl)propoxy]phenol (CID 117242992) is 2-[3-amino-2-(3-chlorophenyl)propoxy]phenol.
What is the SMILES notation for 2-[3-amino-2-(3-chlorophenyl)propoxy]phenol?
The canonical SMILES for 2-[3-amino-2-(3-chlorophenyl)propoxy]phenol is NCC(COc1ccccc1O)c1cccc(Cl)c1.
What is the InChIKey of 2-[3-amino-2-(3-chlorophenyl)propoxy]phenol?
The InChIKey is BFVDUIJCHLWNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-13-5-3-4-11(8-13)12(9-17)10-19-15-7-2-1-6-14(15)18/h1-8,12,18H,9-10,17H2.
What are the key properties of 2-[3-amino-2-(3-chlorophenyl)propoxy]phenol?
2-[3-amino-2-(3-chlorophenyl)propoxy]phenol has a molecular weight of 277.75 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-2-(3-chlorophenyl)propoxy]phenol is sourced from PubChem (CID 117242992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).