2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine

C10H13Cl2NO2 — CID 82297325

IUPAC2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine
SMILESCOc1cc(Cl)c(C(CN)OC)cc1Cl
InChIInChI=1S/C10H13Cl2NO2/c1-14-9-4-7(11)6(3-8(9)12)10(5-13)15-2/h3-4,10H,5,13H2,1-2H3
InChIKeyZULLAGQSHJKUGC-UHFFFAOYSA-N
MW250.12 g/mol
LogP2.65
Rot. Bonds4

About 2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine

2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine (PubChem CID 82297325) has the molecular formula C10H13Cl2NO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is 2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine
PubChem CID82297325
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12 g/mol
Exact Mass249.03
IUPAC Name2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine
SMILESCOc1cc(Cl)c(C(CN)OC)cc1Cl
InChIInChI=1S/C10H13Cl2NO2/c1-14-9-4-7(11)6(3-8(9)12)10(5-13)15-2/h3-4,10H,5,13H2,1-2H3
InChIKeyZULLAGQSHJKUGC-UHFFFAOYSA-N
XLogP2.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine
CID 116835620
2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
CID 83895896
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)ethanethiol
CID 116868616
2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine
CID 15185771
1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine
CID 116914633
1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol
CID 83943372
1-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine
CID 114752658
5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol
CID 105426015
1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
CID 66517708
2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol
CID 84811979

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine?
The IUPAC name of 2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine (CID 82297325) is 2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine.
What is the SMILES notation for 2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine?
The canonical SMILES for 2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine is COc1cc(Cl)c(C(CN)OC)cc1Cl.
What is the InChIKey of 2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine?
The InChIKey is ZULLAGQSHJKUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2/c1-14-9-4-7(11)6(3-8(9)12)10(5-13)15-2/h3-4,10H,5,13H2,1-2H3.
What are the key properties of 2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine?
2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine has a molecular weight of 250.12 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine is sourced from PubChem (CID 82297325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).