2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol

C17H20ClNO2 — CID 43110122

IUPAC2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClNO2/c1-12(16-11-15(21-2)7-8-17(16)20)19-10-9-13-3-5-14(18)6-4-13/h3-8,11-12,19-20H,9-10H2,1-2H3
InChIKeyLXOPEFJUHHJLPZ-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.95
Rot. Bonds6

About 2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol

2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol (PubChem CID 43110122) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol
PubChem CID43110122
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClNO2/c1-12(16-11-15(21-2)7-8-17(16)20)19-10-9-13-3-5-14(18)6-4-13/h3-8,11-12,19-20H,9-10H2,1-2H3
InChIKeyLXOPEFJUHHJLPZ-UHFFFAOYSA-N
XLogP3.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(4-hydroxyphenyl)ethylamino]ethyl]-4-methoxyphenol
CID 61237640
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43767010
2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol
CID 60889873
2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
CID 16775145
5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
CID 60903278
4-methoxy-2-[1-(2-pyridin-2-ylethylamino)ethyl]phenol
CID 43193672
2-[1-(2-ethylsulfonylethylamino)ethyl]-4-methoxyphenol
CID 104582220
2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol
CID 43195776
4-methoxy-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]phenol
CID 103913810
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189507
2-[1-(but-2-ynylamino)ethyl]-4-methoxyphenol
CID 115900748
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol (CID 43110122) is 2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol is COc1ccc(O)c(C(C)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol?
The InChIKey is LXOPEFJUHHJLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12(16-11-15(21-2)7-8-17(16)20)19-10-9-13-3-5-14(18)6-4-13/h3-8,11-12,19-20H,9-10H2,1-2H3.
What are the key properties of 2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol?
2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol has a molecular weight of 305.81 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol is sourced from PubChem (CID 43110122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).