1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine

C15H23Cl2NO2 — CID 61483531

IUPAC1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine
SMILESCCCCOCCOc1c(Cl)cc(Cl)cc1CC(C)N
InChIInChI=1S/C15H23Cl2NO2/c1-3-4-5-19-6-7-20-15-12(8-11(2)18)9-13(16)10-14(15)17/h9-11H,3-8,18H2,1-2H3
InChIKeyYKIZJUKFWQXLNO-UHFFFAOYSA-N
MW320.26 g/mol
LogP4.08
Rot. Bonds9

About 1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine

1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine (PubChem CID 61483531) has the molecular formula C15H23Cl2NO2 and a molecular weight of 320.26 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine
PubChem CID61483531
Molecular FormulaC15H23Cl2NO2
Molecular Weight320.26 g/mol
Exact Mass319.11
IUPAC Name1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine
SMILESCCCCOCCOc1c(Cl)cc(Cl)cc1CC(C)N
InChIInChI=1S/C15H23Cl2NO2/c1-3-4-5-19-6-7-20-15-12(8-11(2)18)9-13(16)10-14(15)17/h9-11H,3-8,18H2,1-2H3
InChIKeyYKIZJUKFWQXLNO-UHFFFAOYSA-N
XLogP4.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine
CID 63421886
1-[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]propan-2-amine
CID 115962897
1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine
CID 114476284
1-(5-chloro-2-hexoxy-3-methoxyphenyl)propan-2-amine
CID 104667028
1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170894134
1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine
CID 104666968
1-[3-bromo-2-(2-butoxyethoxy)phenyl]propan-2-amine
CID 61483612
1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine
CID 61493243
1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine
CID 60907532
1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine
CID 170891416
(3,5-dichloro-2-octoxyphenyl)methanamine
CID 43515616

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine?
The IUPAC name of 1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine (CID 61483531) is 1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine is CCCCOCCOc1c(Cl)cc(Cl)cc1CC(C)N.
What is the InChIKey of 1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine?
The InChIKey is YKIZJUKFWQXLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO2/c1-3-4-5-19-6-7-20-15-12(8-11(2)18)9-13(16)10-14(15)17/h9-11H,3-8,18H2,1-2H3.
What are the key properties of 1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine?
1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine has a molecular weight of 320.26 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine is sourced from PubChem (CID 61483531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).