1-[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]butan-2-amine

C15H21Cl2NO2 — CID 106439695

IUPAC1-[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)cc(OC)c1OC/C(C)=C/Cl
InChIInChI=1S/C15H21Cl2NO2/c1-4-13(18)6-11-5-12(17)7-14(19-3)15(11)20-9-10(2)8-16/h5,7-8,13H,4,6,9,18H2,1-3H3/b10-8+
InChIKeyOSHNHEFETUBMNJ-CSKARUKUSA-N
MW318.24 g/mol
LogP4.15
Rot. Bonds7

About 1-[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]butan-2-amine

1-[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]butan-2-amine (PubChem CID 106439695) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is 1-[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]butan-2-amine
PubChem CID106439695
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Name1-[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)cc(OC)c1OC/C(C)=C/Cl
InChIInChI=1S/C15H21Cl2NO2/c1-4-13(18)6-11-5-12(17)7-14(19-3)15(11)20-9-10(2)8-16/h5,7-8,13H,4,6,9,18H2,1-3H3/b10-8+
InChIKeyOSHNHEFETUBMNJ-CSKARUKUSA-N
XLogP4.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine
CID 104667098
1-[5-chloro-2-[3-(dimethylamino)propoxy]-3-methoxyphenyl]butan-2-amine
CID 114526354
1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine
CID 104667102
1-[5-chloro-3-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine
CID 104667125
N-[[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]methyl]-2-methoxyethanamine
CID 106437144
1-[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]butan-2-amine
CID 104667100
1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 104667097
1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine
CID 104666968
3-chloro-4-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxybenzaldehyde
CID 106438560
1-[3,5-dichloro-2-(methoxymethoxy)phenyl]butan-2-amine
CID 65364695
[5-chloro-3-methoxy-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 104664190
1-(5-chloro-2-hexoxy-3-methoxyphenyl)propan-2-amine
CID 104667028

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]butan-2-amine?
The IUPAC name of 1-[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]butan-2-amine (CID 106439695) is 1-[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]butan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]butan-2-amine?
The canonical SMILES for 1-[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]butan-2-amine is CCC(N)Cc1cc(Cl)cc(OC)c1OC/C(C)=C/Cl.
What is the InChIKey of 1-[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]butan-2-amine?
The InChIKey is OSHNHEFETUBMNJ-CSKARUKUSA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c1-4-13(18)6-11-5-12(17)7-14(19-3)15(11)20-9-10(2)8-16/h5,7-8,13H,4,6,9,18H2,1-3H3/b10-8+.
What are the key properties of 1-[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]butan-2-amine?
1-[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]butan-2-amine has a molecular weight of 318.24 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]butan-2-amine is sourced from PubChem (CID 106439695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).