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

C10H14ClNO2 — CID 174576227

IUPAC1-(2-amino-4-chloro-3,5-dimethylphenoxy)ethanol
SMILESCc1cc(OC(C)O)c(N)c(C)c1Cl
InChIInChI=1S/C10H14ClNO2/c1-5-4-8(14-7(3)13)10(12)6(2)9(5)11/h4,7,13H,12H2,1-3H3
InChIKeyCSAQJOSIKWXGLV-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.26
Rot. Bonds2

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

1-(2-amino-4-chloro-3,5-dimethylphenoxy)ethanol (PubChem CID 174576227) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 1-(2-amino-4-chloro-3,5-dimethylphenoxy)ethanol.

Molecular Properties

Compound Name1-(2-amino-4-chloro-3,5-dimethylphenoxy)ethanol
PubChem CID174576227
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name1-(2-amino-4-chloro-3,5-dimethylphenoxy)ethanol
SMILESCc1cc(OC(C)O)c(N)c(C)c1Cl
InChIInChI=1S/C10H14ClNO2/c1-5-4-8(14-7(3)13)10(12)6(2)9(5)11/h4,7,13H,12H2,1-3H3
InChIKeyCSAQJOSIKWXGLV-UHFFFAOYSA-N
XLogP2.26
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4-chloro-5-methylphenoxy)ethanol
CID 174561667
3-chloro-6-ethoxy-2,4-dimethylaniline
CID 82053344
3-chloro-2,4-dimethyl-6-propoxyaniline
CID 82053375
1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone
CID 82053386
(4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone
CID 82265287
6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline
CID 42646928
ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate
CID 82553188
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide
CID 116843880
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)propane-1,3-diol
CID 82294523
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol
CID 82300220
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutanethioamide
CID 83938124
2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide
CID 115152223

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chloro-3,5-dimethylphenoxy)ethanol?
The IUPAC name of 1-(2-amino-4-chloro-3,5-dimethylphenoxy)ethanol (CID 174576227) is 1-(2-amino-4-chloro-3,5-dimethylphenoxy)ethanol.
What is the SMILES notation for 1-(2-amino-4-chloro-3,5-dimethylphenoxy)ethanol?
The canonical SMILES for 1-(2-amino-4-chloro-3,5-dimethylphenoxy)ethanol is Cc1cc(OC(C)O)c(N)c(C)c1Cl.
What is the InChIKey of 1-(2-amino-4-chloro-3,5-dimethylphenoxy)ethanol?
The InChIKey is CSAQJOSIKWXGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-5-4-8(14-7(3)13)10(12)6(2)9(5)11/h4,7,13H,12H2,1-3H3.
What are the key properties of 1-(2-amino-4-chloro-3,5-dimethylphenoxy)ethanol?
1-(2-amino-4-chloro-3,5-dimethylphenoxy)ethanol has a molecular weight of 215.68 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chloro-3,5-dimethylphenoxy)ethanol is sourced from PubChem (CID 174576227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).