1-(4-cyclopropyloxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine

C15H15Br2NOS — CID 107969275

IUPAC1-(4-cyclopropyloxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(OC2CC2)cc1)c1cc(Br)sc1Br
InChIInChI=1S/C15H15Br2NOS/c1-18-14(12-8-13(16)20-15(12)17)9-2-4-10(5-3-9)19-11-6-7-11/h2-5,8,11,14,18H,6-7H2,1H3
InChIKeyVDDGHVXQYBBQLT-UHFFFAOYSA-N
MW417.17 g/mol
LogP5.12
Rot. Bonds5

About 1-(4-cyclopropyloxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine

1-(4-cyclopropyloxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine (PubChem CID 107969275) has the molecular formula C15H15Br2NOS and a molecular weight of 417.17 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
PubChem CID107969275
Molecular FormulaC15H15Br2NOS
Molecular Weight417.17 g/mol
Exact Mass414.92
IUPAC Name1-(4-cyclopropyloxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(OC2CC2)cc1)c1cc(Br)sc1Br
InChIInChI=1S/C15H15Br2NOS/c1-18-14(12-8-13(16)20-15(12)17)9-2-4-10(5-3-9)19-11-6-7-11/h2-5,8,11,14,18H,6-7H2,1H3
InChIKeyVDDGHVXQYBBQLT-UHFFFAOYSA-N
XLogP5.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.17
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropyloxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 107969270
[(3-cyclopropyloxyphenyl)-(2,5-dibromothiophen-3-yl)methyl]hydrazine
CID 107970651
1-(4-cyclopropyloxyphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 105051420
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 107961111
1-(2,5-dibromothiophen-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 43486904
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 107968253
1-(2,5-dibromothiophen-3-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81283093
1-(2,5-dibromothiophen-3-yl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43486884
N-[(2,5-dibromothiophen-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43497910
5-[(2,5-dibromothiophen-3-yl)-(methylamino)methyl]-1-methyl-3H-indol-2-one
CID 107960668
[(4-cyclopropyloxyphenyl)-(3,5-dibromophenyl)methyl]hydrazine
CID 107979462
[(2-bromo-5-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine
CID 105341051

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine (CID 107969275) is 1-(4-cyclopropyloxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine is CNC(c1ccc(OC2CC2)cc1)c1cc(Br)sc1Br.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine?
The InChIKey is VDDGHVXQYBBQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NOS/c1-18-14(12-8-13(16)20-15(12)17)9-2-4-10(5-3-9)19-11-6-7-11/h2-5,8,11,14,18H,6-7H2,1H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine?
1-(4-cyclopropyloxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine has a molecular weight of 417.17 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 107969275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).