2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline

C14H14BrNS — CID 54982930

IUPAC2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline
SMILESBrc1ccccc1NC(c1cccs1)C1CC1
InChIInChI=1S/C14H14BrNS/c15-11-4-1-2-5-12(11)16-14(10-7-8-10)13-6-3-9-17-13/h1-6,9-10,14,16H,7-8H2
InChIKeyQAMNIBHYPFHBLX-UHFFFAOYSA-N
MW308.24 g/mol
LogP5.07
Rot. Bonds4

About 2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline

2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline (PubChem CID 54982930) has the molecular formula C14H14BrNS and a molecular weight of 308.24 g/mol. Its IUPAC name is 2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline
PubChem CID54982930
Molecular FormulaC14H14BrNS
Molecular Weight308.24 g/mol
Exact Mass307.00
IUPAC Name2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline
SMILESBrc1ccccc1NC(c1cccs1)C1CC1
InChIInChI=1S/C14H14BrNS/c15-11-4-1-2-5-12(11)16-14(10-7-8-10)13-6-3-9-17-13/h1-6,9-10,14,16H,7-8H2
InChIKeyQAMNIBHYPFHBLX-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.24
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]-2-methylaniline
CID 107630101
2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline
CID 107597366
2-bromo-N-(dicyclopropylmethyl)aniline
CID 43362785
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43762617
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
4-bromo-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]benzonitrile
CID 107797507
N-[cyclopentyl(thiophen-2-yl)methyl]-2-nitroaniline
CID 43785516
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
ethyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]benzoate
CID 63423354
N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline
CID 79055355
2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline
CID 43762685

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline?
The IUPAC name of 2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline (CID 54982930) is 2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline?
The canonical SMILES for 2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline is Brc1ccccc1NC(c1cccs1)C1CC1.
What is the InChIKey of 2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline?
The InChIKey is QAMNIBHYPFHBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNS/c15-11-4-1-2-5-12(11)16-14(10-7-8-10)13-6-3-9-17-13/h1-6,9-10,14,16H,7-8H2.
What are the key properties of 2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline?
2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline has a molecular weight of 308.24 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline is sourced from PubChem (CID 54982930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).