3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine

C15H15Br2NS — CID 63452022

IUPAC3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine
SMILESBrc1cccc(C2CC(NCc3ccc(Br)s3)C2)c1
InChIInChI=1S/C15H15Br2NS/c16-12-3-1-2-10(6-12)11-7-13(8-11)18-9-14-4-5-15(17)19-14/h1-6,11,13,18H,7-9H2
InChIKeyHFEBOUGGYUFEDM-UHFFFAOYSA-N
MW401.17 g/mol
LogP5.31
Rot. Bonds4

About 3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine

3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine (PubChem CID 63452022) has the molecular formula C15H15Br2NS and a molecular weight of 401.17 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine
PubChem CID63452022
Molecular FormulaC15H15Br2NS
Molecular Weight401.17 g/mol
Exact Mass398.93
IUPAC Name3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine
SMILESBrc1cccc(C2CC(NCc3ccc(Br)s3)C2)c1
InChIInChI=1S/C15H15Br2NS/c16-12-3-1-2-10(6-12)11-7-13(8-11)18-9-14-4-5-15(17)19-14/h1-6,11,13,18H,7-9H2
InChIKeyHFEBOUGGYUFEDM-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.17
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]cyclobutan-1-amine
CID 65246365
N-[(5-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)cyclobutan-1-amine
CID 63452021
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 106043404
3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632521
N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine
CID 63624209
4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 106840971
3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine
CID 62223797
3-[[3-(3-bromophenyl)cyclobutyl]amino]propanoic acid
CID 43635224
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
CID 63821467
3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol
CID 106704265
N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634641

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine (CID 63452022) is 3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine is Brc1cccc(C2CC(NCc3ccc(Br)s3)C2)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is HFEBOUGGYUFEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NS/c16-12-3-1-2-10(6-12)11-7-13(8-11)18-9-14-4-5-15(17)19-14/h1-6,11,13,18H,7-9H2.
What are the key properties of 3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine?
3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 401.17 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 63452022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).