1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine

C14H19Cl2NO — CID 114476284

IUPAC1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine
SMILESC=C(C)CCOc1c(Cl)cc(Cl)cc1CC(C)N
InChIInChI=1S/C14H19Cl2NO/c1-9(2)4-5-18-14-11(6-10(3)17)7-12(15)8-13(14)16/h7-8,10H,1,4-6,17H2,2-3H3
InChIKeyMZUYDATWSVKDGH-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.23
Rot. Bonds6

About 1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine

1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine (PubChem CID 114476284) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine
PubChem CID114476284
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine
SMILESC=C(C)CCOc1c(Cl)cc(Cl)cc1CC(C)N
InChIInChI=1S/C14H19Cl2NO/c1-9(2)4-5-18-14-11(6-10(3)17)7-12(15)8-13(14)16/h7-8,10H,1,4-6,17H2,2-3H3
InChIKeyMZUYDATWSVKDGH-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine
CID 61483531
1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine
CID 63421886
1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine
CID 60907532
1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170894134
1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine
CID 63421756
1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine
CID 104666968
1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine
CID 61493243
N-[[5-chloro-3-methoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471775
N-[[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60887324
1-(5-chloro-2-hexoxy-3-methoxyphenyl)propan-2-amine
CID 104667028
2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide
CID 54928907

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine (CID 114476284) is 1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine is C=C(C)CCOc1c(Cl)cc(Cl)cc1CC(C)N.
What is the InChIKey of 1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine?
The InChIKey is MZUYDATWSVKDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-9(2)4-5-18-14-11(6-10(3)17)7-12(15)8-13(14)16/h7-8,10H,1,4-6,17H2,2-3H3.
What are the key properties of 1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine?
1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine has a molecular weight of 288.22 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine is sourced from PubChem (CID 114476284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).