2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline

C14H13Br2NS — CID 107597366

IUPAC2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline
SMILESBrc1cccc(Br)c1NC(c1cccs1)C1CC1
InChIInChI=1S/C14H13Br2NS/c15-10-3-1-4-11(16)14(10)17-13(9-6-7-9)12-5-2-8-18-12/h1-5,8-9,13,17H,6-7H2
InChIKeyVAAUTHMLEYBLHW-UHFFFAOYSA-N
MW387.14 g/mol
LogP5.84
Rot. Bonds4

About 2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline

2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline (PubChem CID 107597366) has the molecular formula C14H13Br2NS and a molecular weight of 387.14 g/mol. Its IUPAC name is 2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline
PubChem CID107597366
Molecular FormulaC14H13Br2NS
Molecular Weight387.14 g/mol
Exact Mass384.91
IUPAC Name2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline
SMILESBrc1cccc(Br)c1NC(c1cccs1)C1CC1
InChIInChI=1S/C14H13Br2NS/c15-10-3-1-4-11(16)14(10)17-13(9-6-7-9)12-5-2-8-18-12/h1-5,8-9,13,17H,6-7H2
InChIKeyVAAUTHMLEYBLHW-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.14
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline
CID 54982930
3-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]-2-methylaniline
CID 107630101
2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline
CID 65469886
N-[cyclopropyl(thiophen-2-yl)methyl]-2,4,5-trifluoroaniline
CID 55118586
4-bromo-N-[cyclopentyl(thiophen-2-yl)methyl]-2,5-difluoroaniline
CID 107609695
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
4-bromo-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]benzonitrile
CID 107797507
N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline
CID 79055355
N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline
CID 62809644
N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine
CID 51921587
N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine
CID 115576085
N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethynylaniline
CID 43755560

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline?
The IUPAC name of 2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline (CID 107597366) is 2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline.
What is the SMILES notation for 2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline?
The canonical SMILES for 2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline is Brc1cccc(Br)c1NC(c1cccs1)C1CC1.
What is the InChIKey of 2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline?
The InChIKey is VAAUTHMLEYBLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NS/c15-10-3-1-4-11(16)14(10)17-13(9-6-7-9)12-5-2-8-18-12/h1-5,8-9,13,17H,6-7H2.
What are the key properties of 2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline?
2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline has a molecular weight of 387.14 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline is sourced from PubChem (CID 107597366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).