1-(3-aminophenyl)-2-(4-chloro-3,5-dimethylphenoxy)ethanol

C16H18ClNO2 — CID 62267931

IUPAC1-(3-aminophenyl)-2-(4-chloro-3,5-dimethylphenoxy)ethanol
SMILESCc1cc(OCC(O)c2cccc(N)c2)cc(C)c1Cl
InChIInChI=1S/C16H18ClNO2/c1-10-6-14(7-11(2)16(10)17)20-9-15(19)12-4-3-5-13(18)8-12/h3-8,15,19H,9,18H2,1-2H3
InChIKeyIUTHTSIGMWYEFK-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.65
Rot. Bonds4

About 1-(3-aminophenyl)-2-(4-chloro-3,5-dimethylphenoxy)ethanol

1-(3-aminophenyl)-2-(4-chloro-3,5-dimethylphenoxy)ethanol (PubChem CID 62267931) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(4-chloro-3,5-dimethylphenoxy)ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(4-chloro-3,5-dimethylphenoxy)ethanol
PubChem CID62267931
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name1-(3-aminophenyl)-2-(4-chloro-3,5-dimethylphenoxy)ethanol
SMILESCc1cc(OCC(O)c2cccc(N)c2)cc(C)c1Cl
InChIInChI=1S/C16H18ClNO2/c1-10-6-14(7-11(2)16(10)17)20-9-15(19)12-4-3-5-13(18)8-12/h3-8,15,19H,9,18H2,1-2H3
InChIKeyIUTHTSIGMWYEFK-UHFFFAOYSA-N
XLogP3.65
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol
CID 62264762
2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol
CID 107725514
3-(4-chloro-3,5-dimethylphenoxy)-2-phenylpropanoic acid
CID 63074496
1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol
CID 64855761
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
3-[1-hydroxy-2-(4-methylphenoxy)ethyl]phenol
CID 117242770
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol
CID 105079210
1-(4-chloro-3,5-dimethylphenoxy)-3,3-dimethylbutan-2-amine
CID 82027680
2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol
CID 105091612
1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol
CID 106695951
1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 107663977

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(4-chloro-3,5-dimethylphenoxy)ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(4-chloro-3,5-dimethylphenoxy)ethanol (CID 62267931) is 1-(3-aminophenyl)-2-(4-chloro-3,5-dimethylphenoxy)ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(4-chloro-3,5-dimethylphenoxy)ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(4-chloro-3,5-dimethylphenoxy)ethanol is Cc1cc(OCC(O)c2cccc(N)c2)cc(C)c1Cl.
What is the InChIKey of 1-(3-aminophenyl)-2-(4-chloro-3,5-dimethylphenoxy)ethanol?
The InChIKey is IUTHTSIGMWYEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-10-6-14(7-11(2)16(10)17)20-9-15(19)12-4-3-5-13(18)8-12/h3-8,15,19H,9,18H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-2-(4-chloro-3,5-dimethylphenoxy)ethanol?
1-(3-aminophenyl)-2-(4-chloro-3,5-dimethylphenoxy)ethanol has a molecular weight of 291.78 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(4-chloro-3,5-dimethylphenoxy)ethanol is sourced from PubChem (CID 62267931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).